2~4~-benzoyl-1~4~,3~4~-difluoro-2~5~-hydroxy-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-1~4~,3~4~-difluoro-2~5~-hydroxy-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-1~4~,3~4~-difluoro-2~5~-hydroxy-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: | 8020-5113 |
| Compound Name: | 2~4~-benzoyl-1~4~,3~4~-difluoro-2~5~-hydroxy-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: | 518.56 |
| Molecular Formula: | C33 H24 F2 N2 O2 |
| Smiles: | C1C(c2ccc(cc2)F)C(C#N)(C#N)C(C(C(c2ccccc2)=O)C1(c1ccccc1)O)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2552 |
| logD: | 6.2551 |
| logSw: | -5.8947 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.195 |
| InChI Key: | XLMJMYIGVIBKLG-UHFFFAOYSA-N |