1-(3,5-Dimethylphenyl)-4-(4-methoxyphenyl)-3,6-di(phenyl)pyrrolo[3,2-b]pyrrole-2,5-dione

SpectraBase Compound ID	6s2DEvtu5rE
InChI	InChI=1S/C33H26N2O3/c1-21-18-22(2)20-26(19-21)35-31-29(24-12-8-5-9-13-24)32(36)34(25-14-16-27(38-3)17-15-25)30(31)28(33(35)37)23-10-6-4-7-11-23/h4-20H,1-3H3
InChIKey	TXJCZGTTYKGBOZ-UHFFFAOYSA-N Google Search
Mol Weight	498.6 g/mol
Molecular Formula	C33H26N2O3
Exact Mass	498.194343 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	7zsffthAM1x
Name	1-(3,5-Dimethylphenyl)-4-(4-methoxyphenyl)-3,6-di(phenyl)pyrrolo[3,2-B]pyrrole-2,5-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	498.194342702 u
Formula	C33H26N2O3
InChI	InChI=1S/C33H26N2O3/c1-21-18-22(2)20-26(19-21)35-31-29(24-12-8-5-9-13-24)32(36)34(25-14-16-27(38-3)17-15-25)30(31)28(33(35)37)23-10-6-4-7-11-23/h4-20H,1-3H3
InChIKey	TXJCZGTTYKGBOZ-UHFFFAOYSA-N
Molecular Weight	498.582 g/mol
SMILES	C=12N(C(C(=C2N(C(C1C=1C=CC=CC1)=O)C=1C=CC(=CC1)OC)C=1C=CC=CC1)=O)C=1C=C(C=C(C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.873113