| SpectraBase Spectrum ID |
HhnxqGBkCue |
| Name |
1-(3,5-Dimethylphenyl)-3,4,6-tri(p-tolyl)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 |
510.230728212 u |
| Formula |
C35H30N2O2 |
| InChI |
InChI=1S/C35H30N2O2/c1-21-6-12-26(13-7-21)30-32-33(37(35(30)39)29-19-24(4)18-25(5)20-29)31(27-14-8-22(2)9-15-27)34(38)36(32)28-16-10-23(3)11-17-28/h6-20H,1-5H3 |
| InChIKey |
BTTODFGRFPIITE-UHFFFAOYSA-N |
| Molecular Weight |
510.637 g/mol |
| SMILES |
C=12N(C(C(=C2N(C(C1C=1C=CC(=CC1)C)=O)C=1C=CC(=CC1)C)C=1C=CC(=CC1)C)=O)C=1C=C(C=C(C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882351 |
![1-(3,5-Dimethylphenyl)-3,4,6-tri(p-tolyl)pyrrolo[3,2-b]pyrrole-2,5-dione](/api/spectrum/HhnxqGBkCue/structure.png?h=300&w=458 "1-(3,5-Dimethylphenyl)-3,4,6-tri(p-tolyl)pyrrolo[3,2-b]pyrrole-2,5-dione")
