1-(4-nitrophenyl)-4-(triphenyl-lambda~5~-phosphanylidene)pyrimido[1,6-a]benzimidazole-3(4H)-thione
Chemical Structure Depiction of
1-(4-nitrophenyl)-4-(triphenyl-lambda~5~-phosphanylidene)pyrimido[1,6-a]benzimidazole-3(4H)-thione
1-(4-nitrophenyl)-4-(triphenyl-lambda~5~-phosphanylidene)pyrimido[1,6-a]benzimidazole-3(4H)-thione
Compound characteristics
| Compound ID: | 8008-9751 |
| Compound Name: | 1-(4-nitrophenyl)-4-(triphenyl-lambda~5~-phosphanylidene)pyrimido[1,6-a]benzimidazole-3(4H)-thione |
| Molecular Weight: | 582.62 |
| Molecular Formula: | C34 H23 N4 O2 P S |
| Smiles: | c1ccc(cc1)P(=C1C(N=C(c2ccc(cc2)[N+]([O-])=O)n2c3ccccc3nc12)=S)(c1ccccc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.3626 |
| logD: | 8.3252 |
| logSw: | -6.5468 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.713 |
| InChI Key: | DQGOSQYHNQUZOR-UHFFFAOYSA-N |