SpectraBase Spectrum ID |
FqKQQZ7e9up |
Name |
3,3'-bis(Phenylimino)-1,3,1',3'-tetrahydro-[2,2']-bis(indolylidene) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
412.168796660 u |
Formula |
C28H20N4 |
InChI |
InChI=1S/C28H20N4/c1-3-11-19(12-4-1)29-25-21-15-7-9-17-23(21)31-27(25)28-26(30-20-13-5-2-6-14-20)22-16-8-10-18-24(22)32-28/h1-18,31-32H/b28-27+,29-25+,30-26+ |
InChIKey |
OYAAGYAUGARFEA-HTZNKMKVSA-N |
Molecular Weight |
412.496 g/mol |
SMILES |
C1=2\C(\C(=C\3\C(C=4C=CC=CC4N3)=N\C=3C=CC=CC3)NC2C=CC=C1)=N\C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958515 |