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Screening compounds

Ptcdi-C8

Also known as N,N'-Di-n-octyl-3,4,9,10-perylenetetracarboxylic Diimide, 2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone, N,N'-Dioctyl-3,4,9,10-perylenedicarboximide

CAS 78151-58-3Formula C40H42N2O4Molar mass 614.79 g/molEC 693-748-8
GHS signal word: Warning. Pictograms: Harmful or irritant 3 suppliers listed
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Ptcdi-C8 chemical structure, C40H42N2O4, CAS 78151-58-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
78151-58-3
Formula
C40H42N2O4
Molar mass
614.79 g/mol
EC number
693-748-8
HS code
292519
Category
Screening compounds

What is Ptcdi-C8?

Plain description, key identifiers and synonyms

Ptcdi-C8 is a chemical substance with the molecular formula C40H42N2O4 and a molar mass of 614.79 g/mol. Its CAS registry number is 78151-58-3. The IUPAC name is 7,18-dioctyl-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-dioctyl-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
78151-58-3 CAS number cross-checked
EC number
693-748-8
Molecular formula
C40H42N2O4
MDL number
MFCD08276854
InChIKey
YFGMQDNQVFJKTR-UHFFFAOYSA-N
InChI
InChI=1S/C40H42N2O4/c1-3-5-7-9-11-13-23-41-37(43)29-19-15-25-27-17-21-31-36-32(40(46)42(39(31)45)24-14-12-10-8-6-4-2)22-18-28(34(27)36)26-16-20-30(38(41)44)35(29)33(25)26/h15-22H,3-14,23-24H2,1-2H3
SMILES (canonical and isomeric)
CCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCC)C1=O

Synonyms

  • N,N'-Di-n-octyl-3,4,9,10-perylenetetracarboxylic Diimide
  • 2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
  • N,N'-Dioctyl-3,4,9,10-perylenedicarboximide
  • Alex002
  • 7,18-dioctyl-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
  • Alexf002
  • N,N-Dioctyl-3,4,9,10-perylenedicarboximide
  • N,N'-Dioctyl-3,4,9,10-perylenedicarboximide, 98%
  • N,N'-Dioctyl-3,4,9,10-perylenedicarboximide, PTCDI-C8
  • N,N inverted exclamation mark -Dioctyl-3,4,9,10-perylene dicarboximide
  • 2,9-Dioctylanthra[2,1,9-def:6,5,10-d inverted exclamation mark e inverted exclamation mark f inverted exclamation mark ]diisoquinoline-1,3,8,10(2H,9H)-tetraone
  • 2,9-Dioctylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

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
614.79 g/molcalc.
Exact mass
614.3145 Dacalc.
LogP (octanol/water)
9.65calc.
Topological polar surface area
74.76 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
14calc.
Heavy atoms
46calc.
Rings
7calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.4calc.
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

Ptcdi-C8 suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 3 countries

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Ptcdi-C8 price

Indicative price range per kg from live supplier offers

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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 Ptcdi-C8 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 Ptcdi-C8 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ptcdi-C8, based on the data on this page

What is Ptcdi-C8?

Ptcdi-C8 is a chemical substance with the molecular formula C40H42N2O4 and a molar mass of 614.79 g/mol. Its CAS registry number is 78151-58-3. The IUPAC name is 7,18-dioctyl-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 Ptcdi-C8?

The CAS registry number of Ptcdi-C8 is 78151-58-3.

What is the molecular formula and weight of Ptcdi-C8?

The molecular formula of Ptcdi-C8 is C40H42N2O4 and its molar mass is 614.79 g/mol.

What is Ptcdi-C8 used for?

Known uses and roles of Ptcdi-C8 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ptcdi-C8 hazardous?

Ptcdi-C8 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 Ptcdi-C8?

Ptcdi-C8 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 Ptcdi-C8?

CompoundList lists 3 suppliers of Ptcdi-C8 in China, India and Taiwan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Ptcdi-C8 in India?

1 supplier in India list Ptcdi-C8 on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Ptcdi-C8?

Suppliers quote Ptcdi-C8 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

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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