2,7-bis{4-[(4-nitrophenyl)sulfanyl]phenyl}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Chemical Structure Depiction of
2,7-bis{4-[(4-nitrophenyl)sulfanyl]phenyl}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
2,7-bis{4-[(4-nitrophenyl)sulfanyl]phenyl}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Compound characteristics
| Compound ID: | 8005-2000 |
| Compound Name: | 2,7-bis{4-[(4-nitrophenyl)sulfanyl]phenyl}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone |
| Molecular Weight: | 724.73 |
| Molecular Formula: | C38 H20 N4 O8 S2 |
| Smiles: | c1cc(ccc1[N+]([O-])=O)Sc1ccc(cc1)N1C(c2ccc3C(N(C(c4ccc(C1=O)c2c34)=O)c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6854 |
| logD: | 7.6854 |
| logSw: | -6.3885 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 122.738 |
| InChI Key: | PNKQJTMPQUGCJA-UHFFFAOYSA-N |