| SpectraBase Spectrum ID |
BZG7lkKvbyc |
| Name |
2,3-Dicyano-5,7-bis[2-(9-ethyl-3-carbazolyl)ethenyl]-6H-1,4-diazepine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
582.253194990 u |
| Formula |
C39H30N6 |
| InChI |
InChI=1S/C39H30N6/c1-3-44-36-11-7-5-9-30(36)32-21-26(15-19-38(32)44)13-17-28-23-29(43-35(25-41)34(24-40)42-28)18-14-27-16-20-39-33(22-27)31-10-6-8-12-37(31)45(39)4-2/h5-22H,3-4,23H2,1-2H3/b17-13+,18-14+ |
| InChIKey |
ZSOKTLSOIVLIGG-HBKJEHTGSA-N |
| Molecular Weight |
582.711 g/mol |
| SMILES |
C=1(N=C(CC(=NC1C#N)\C=C\C=1C=CC=2N(C3=C(C2C1)C=CC=C3)CC)\C=C\C=1C=CC=2N(C3=C(C2C1)C=CC=C3)CC)C#N |