C.I. Pigment Black 31

Details

Stereochemistry	ACHIRAL
Molecular Formula	C40H26N2O4
Molecular Weight	598.6454
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1N(CCC2=CC=CC=C2)C(=O)C3=C4C1=CC=C5C6=C7C(=CC=C8C(=O)N(CCC9=CC=CC=C9)C(=O)C(C=C6)=C78)C(C=C3)=C45

InChI

InChIKey=IIKSFQIOFHBWSO-UHFFFAOYSA-N

InChI=1S/C40H26N2O4/c43-37-29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)22-20-24-9-5-2-6-10-24)18-14-28(34(27)36)26-12-16-30(35(29)33(25)26)38(44)41(37)21-19-23-7-3-1-4-8-23/h1-18H,19-22H2

HIDE SMILES / InChI

Molecular Formula	C40H26N2O4
Molecular Weight	598.6454
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:27:36 GMT 2025` Edited by `admin` on `Mon Mar 31 22:27:36 GMT 2025`
Record UNII	S6T4B88FST
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

C.I. Pigment Black 31

Common Name

English

2,9-Bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f?]diisoquinoline-1,3,8,10(2H,9H)-tetrone

Preferred Name

English

Anthra[2,1,9-def:6,5,10-d'e'f?]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-

Systematic Name

English

Code System Code Type Description

FDA UNII

S6T4B88FST