{[([1,1'-biphenyl]-4,4'-diyl)bis(azanylylidene)methanylylidene]-4,1-phenylene} bis(3,5-dinitrobenzoate)
Chemical Structure Depiction of
{[([1,1'-biphenyl]-4,4'-diyl)bis(azanylylidene)methanylylidene]-4,1-phenylene} bis(3,5-dinitrobenzoate)
{[([1,1'-biphenyl]-4,4'-diyl)bis(azanylylidene)methanylylidene]-4,1-phenylene} bis(3,5-dinitrobenzoate)
Compound characteristics
| Compound ID: | 8003-1902 |
| Compound Name: | {[([1,1'-biphenyl]-4,4'-diyl)bis(azanylylidene)methanylylidene]-4,1-phenylene} bis(3,5-dinitrobenzoate) |
| Molecular Weight: | 780.67 |
| Molecular Formula: | C40 H24 N6 O12 |
| Smiles: | C(\c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/c1ccc(cc1)c1ccc(cc1)/N=C/c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4229 |
| logD: | 7.4173 |
| logSw: | -6.2224 |
| Hydrogen bond acceptors count: | 24 |
| Polar surface area: | 190.503 |
| InChI Key: | OIFBKVXIEQLTRZ-UHFFFAOYSA-N |