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Screening compounds

Diphenethindole

Also known as Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 2-(2-(diphenylmethoxy)ethyl)-1,2,3,4,6,7,12,12a-octahydro-, 6-(2-benzhydryloxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene, Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(2-(diphenylmethoxy)ethyl)-

CAS 72601-09-3Formula C29H31N3OMolar mass 437.59 g/mol
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Diphenethindole chemical structure, C29H31N3O, CAS 72601-09-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72601-09-3
Formula
C29H31N3O
Molar mass
437.59 g/mol
HS code
293359
Category
Screening compounds

What is Diphenethindole?

Plain description, key identifiers and synonyms

Diphenethindole is a chemical substance with the molecular formula C29H31N3O and a molar mass of 437.59 g/mol. Its CAS registry number is 72601-09-3. The IUPAC name is 6-(2-benzhydryloxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-(2-benzhydryloxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
CAS number
72601-09-3 CAS number cross-checked
Molecular formula
C29H31N3O
InChIKey
JYRRLCNLAJMXFH-UHFFFAOYSA-N
InChI
InChI=1S/C29H31N3O/c1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)33-18-17-31-15-16-32-21-28-26(19-24(32)20-31)25-13-7-8-14-27(25)30-28/h1-14,24,29-30H,15-21H2
SMILES (canonical and isomeric)
C1CN2CC3=C(CC2CN1CCOC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6N3

Synonyms

  • Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 2-(2-(diphenylmethoxy)ethyl)-1,2,3,4,6,7,12,12a-octahydro-
  • 6-(2-benzhydryloxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
  • Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(2-(diphenylmethoxy)ethyl)-
  • 2-[2-(Diphenylmethoxy)ethyl]-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indole

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
437.59 g/molcalc.
Exact mass
437.2467 Dacalc.
LogP (octanol/water)
5.02calc.
Topological polar surface area
31.5 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
33calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc(C(OCCN2CCN3Cc4[nH]c5ccccc5c4CC3C2)c2ccccc2)cc1

c1ccc(C(OCCN2CCN3Cc4[nH]c5ccccc5c4CC3C2)c2ccccc2)cc1

6 rings, 33 atoms. This chemical is the scaffold itself.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Diphenethindole suppliers

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Diphenethindole 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 Diphenethindole is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Diphenethindole?

Diphenethindole is a chemical substance with the molecular formula C29H31N3O and a molar mass of 437.59 g/mol. Its CAS registry number is 72601-09-3. The IUPAC name is 6-(2-benzhydryloxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene.

What is the CAS number of Diphenethindole?

The CAS registry number of Diphenethindole is 72601-09-3.

What is the molecular formula and weight of Diphenethindole?

The molecular formula of Diphenethindole is C29H31N3O and its molar mass is 437.59 g/mol.

What is Diphenethindole used for?

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

Is Diphenethindole hazardous?

No GHS hazard classification for Diphenethindole is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Diphenethindole?

Diphenethindole is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Diphenethindole?

Post a free request on CompoundList and suppliers of Diphenethindole will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Diphenethindole?

Suppliers quote Diphenethindole 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 Diphenethindole

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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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