9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]pyrido[1'',2'',3'':1',8']quinolino[6',5':5,6]pyrano[2,3-f]quinolin-4-ium--perchlorate (1/1)
Chemical Structure Depiction of
9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]pyrido[1'',2'',3'':1',8']quinolino[6',5':5,6]pyrano[2,3-f]quinolin-4-ium--perchlorate (1/1)
9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]pyrido[1'',2'',3'':1',8']quinolino[6',5':5,6]pyrano[2,3-f]quinolin-4-ium--perchlorate (1/1)
Compound characteristics
| Compound ID: | 0099-0339 |
| Compound Name: | 9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]pyrido[1'',2'',3'':1',8']quinolino[6',5':5,6]pyrano[2,3-f]quinolin-4-ium--perchlorate (1/1) |
| Molecular Weight: | 591.06 |
| Molecular Formula: | C32 H31 N2 O3 |
| Salt: | ClO4- |
| Smiles: | C1Cc2cc3C(c4ccccc4C(O)=O)=c4cc5CCC[N+]6CCCc(c4Oc3c3CCCN(C1)c23)c5=6 |
| Stereo: | ACHIRAL |
| logP: | 5.5391 |
| logD: | -0.18 |
| logSw: | -5.5895 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.718 |
| InChI Key: | MUSLHCJRTRQOSP-UHFFFAOYSA-O |