| SpectraBase Spectrum ID |
MRALuWA83K |
| Name |
2,2'-Biacridine, 9,9',10,10'-tetrahydro-9,9,9',9'-tetraphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
664.287849167 u |
| Formula |
C50H36N2 |
| InChI |
InChI=1S/C50H36N2/c1-5-17-37(18-6-1)49(38-19-7-2-8-20-38)41-25-13-15-27-45(41)51-47-31-29-35(33-43(47)49)36-30-32-48-44(34-36)50(39-21-9-3-10-22-39,40-23-11-4-12-24-40)42-26-14-16-28-46(42)52-48/h1-34,51-52H |
| InChIKey |
DZBSZCKLNHTZIB-UHFFFAOYSA-N |
| Molecular Weight |
664.852 g/mol |
| SMILES |
C1(C=2C(=CC=C(C2)C=2C=C3C(C=4C=CC=CC4NC3=CC2)(C2=CC=CC=C2)C=2C=CC=CC2)NC2=C1C=CC=C2)(C=1C=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923787 |