CompoundList
Sign in
Screening compounds

HepPTC

Also known as n,n'-diheptyl-3,4,9,10-perylene dicarboximide, 2,9-Diheptylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone, 7,18-diheptyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

CAS 95689-91-1Formula C38H38N2O4Molar mass 586.73 g/molEC 804-603-7
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
Get quotes Compare 2 suppliers
HepPTC chemical structure, C38H38N2O4, CAS 95689-91-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
95689-91-1
Formula
C38H38N2O4
Molar mass
586.73 g/mol
EC number
804-603-7
HS code
292519
Category
Screening compounds

What is HepPTC?

Plain description, key identifiers and synonyms

HepPTC is a chemical substance with the molecular formula C38H38N2O4 and a molar mass of 586.73 g/mol. Its CAS registry number is 95689-91-1. The IUPAC name is 7,18-diheptyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7,18-diheptyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CAS number
95689-91-1
EC number
804-603-7
Molecular formula
C38H38N2O4
InChIKey
WXLGICNTPAGZCR-UHFFFAOYSA-N
InChI
InChI=1S/C38H38N2O4/c1-3-5-7-9-11-21-39-35(41)27-17-13-23-25-15-19-29-34-30(38(44)40(37(29)43)22-12-10-8-6-4-2)20-16-26(32(25)34)24-14-18-28(36(39)42)33(27)31(23)24/h13-20H,3-12,21-22H2,1-2H3
SMILES (canonical and isomeric)
CCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCC)C1=O

Synonyms

  • n,n'-diheptyl-3,4,9,10-perylene dicarboximide
  • 2,9-Diheptylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
  • 7,18-diheptyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
  • N,N'-Bis(n-heptyl)-3,4,9,10-perylenedicarboximide
  • N,N'-Di(N-heptyl)-perylene-tetracarbonic acid,diamide
  • N,N'-Diheptyl-3,4,9,10-perylenedicarboximide, PTCDI-C7
  • 2,9-Diheptylanthra[2,1,9-def:6,5,10-d'e'f]diisoquinoline-1,3,8,10(2H,9H)-tetrone
  • Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-diheptyl-
  • 2,9-Diheptylanthra[2,1,9-def:6,5,10-d inverted exclamation markae inverted exclamation markaf inverted exclamation marka]diisoquinoline-1,3,8,10(2H,9H)tetrone
  • 2,9-Diheptylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)tetrone, 99%

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
586.73 g/molcalc.
Exact mass
586.2832 Dacalc.
LogP (octanol/water)
8.87calc.
Topological polar surface area
74.76 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
12calc.
Heavy atoms
44calc.
Rings
7calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1NC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)NC5=O

O=C1NC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)NC5=O

7 rings, 30 atoms, the Perylenediimide ring system.

86 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

HepPTC suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

HepPTC price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code HepPTC is traded under.

HS 2925.19Indicative HS code

Imides and their derivatives, salts thereof, other

World exports in 2024
$295M
+11.7% vs 2023, imports $348M
2019 to 2024
Top exporters
  1. China29.7%
  2. Japan22.7%
  3. United Kingdom10.0%
Top importers
  1. United States12.7%
  2. Brazil12.6%
  3. China10.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for HepPTC is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about HepPTC, based on the data on this page

What is HepPTC?

HepPTC is a chemical substance with the molecular formula C38H38N2O4 and a molar mass of 586.73 g/mol. Its CAS registry number is 95689-91-1. The IUPAC name is 7,18-diheptyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

What is the CAS number of HepPTC?

The CAS registry number of HepPTC is 95689-91-1.

What is the molecular formula and weight of HepPTC?

The molecular formula of HepPTC is C38H38N2O4 and its molar mass is 586.73 g/mol.

What is HepPTC used for?

Known uses and roles of HepPTC include building blocks in research and laboratory and screening compounds in research and laboratory.

Is HepPTC hazardous?

HepPTC carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of HepPTC?

HepPTC is usually classified under HS code 292519 (Imides and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy HepPTC?

CompoundList lists 2 suppliers of HepPTC in Australia and Taiwan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of HepPTC?

Suppliers quote HepPTC on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle HepPTC

Get quotes for HepPTC

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell HepPTC
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of HepPTC with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/hepptc-95689-91-1" title="HepPTC structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 292519

2 suppliers
Free quotes, contact stays private
Get quotes