2,2'-[(3-nitrophenyl)methylene]bis(5-phenylcyclohexane-1,3-dione)
Chemical Structure Depiction of
2,2'-[(3-nitrophenyl)methylene]bis(5-phenylcyclohexane-1,3-dione)
2,2'-[(3-nitrophenyl)methylene]bis(5-phenylcyclohexane-1,3-dione)
Compound characteristics
| Compound ID: | Y500-6035 |
| Compound Name: | 2,2'-[(3-nitrophenyl)methylene]bis(5-phenylcyclohexane-1,3-dione) |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C31 H27 N O6 |
| Smiles: | C1C(CC(C(C(C2C(CC(CC2=O)c2ccccc2)=O)c2cccc(c2)[N+]([O-])=O)C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9731 |
| logD: | -2.1303 |
| logSw: | -5.0881 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.91 |
| InChI Key: | HSBGHLFKMSAMLT-UHFFFAOYSA-N |