rel-(2R,5R,6R,8R,9R)-2,4,6,8,9-pentaphenyl-1,3,7-triazabicyclo[3.3.1]non-3-ene
Chemical Structure Depiction of
rel-(2R,5R,6R,8R,9R)-2,4,6,8,9-pentaphenyl-1,3,7-triazabicyclo[3.3.1]non-3-ene
rel-(2R,5R,6R,8R,9R)-2,4,6,8,9-pentaphenyl-1,3,7-triazabicyclo[3.3.1]non-3-ene
Compound characteristics
| Compound ID: | 8018-7985 |
| Compound Name: | rel-(2R,5R,6R,8R,9R)-2,4,6,8,9-pentaphenyl-1,3,7-triazabicyclo[3.3.1]non-3-ene |
| Molecular Weight: | 505.66 |
| Molecular Formula: | C36 H31 N3 |
| Smiles: | [H][C@]12C(c3ccccc3)=N[C@@]([H])(c3ccccc3)N([C@]2([H])c2ccccc2)[C@@]([H])(c2ccccc2)N[C@]1([H])c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.5576 |
| logD: | 8.5404 |
| logSw: | -6.6265 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.6305 |
| InChI Key: | CXLGSJKAWVPGOC-IIPIEMNJSA-N |