2~4~-benzoyl-2~5~-hydroxy-1~3~,3~3~-dinitro-2~5~-phenyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~2~(2~1~H)-dicarbonitrile
Chemical Structure Depiction of
2~4~-benzoyl-2~5~-hydroxy-1~3~,3~3~-dinitro-2~5~-phenyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~2~(2~1~H)-dicarbonitrile
2~4~-benzoyl-2~5~-hydroxy-1~3~,3~3~-dinitro-2~5~-phenyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~2~(2~1~H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8008-3335 |
| Compound Name: | 2~4~-benzoyl-2~5~-hydroxy-1~3~,3~3~-dinitro-2~5~-phenyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~2~(2~1~H)-dicarbonitrile |
| Molecular Weight: | 572.58 |
| Molecular Formula: | C33 H24 N4 O6 |
| Smiles: | C1C(c2cccc(c2)[N+]([O-])=O)C(C#N)(C#N)C(C(C(c2ccccc2)=O)C1(c1ccccc1)O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9839 |
| logD: | 5.9838 |
| logSw: | -5.8119 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.958 |
| InChI Key: | PKRFHEJESMAXTQ-UHFFFAOYSA-N |