C123H78N12 — CID 162215345
5-phenyl-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[3,4-b]indol-6-yl)indolo[3,2-c]carbazole (PubChem CID 162215345) has the molecular formula C123H78N12 and a molecular weight of 1724.06 g/mol. Its IUPAC name is 5-phenyl-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[3,4-b]indol-6-yl)indolo[3,2-c]carbazole.
| Compound Name | 5-phenyl-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[3,4-b]indol-6-yl)indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 162215345 |
| Molecular Formula | C123H78N12 |
| Molecular Weight | 1724.06 g/mol |
| Exact Mass | 1722.65 |
| IUPAC Name | 5-phenyl-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[3,4-b]indol-6-yl)indolo[3,2-c]carbazole |
| SMILES | c1ccc(-n2c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3c3ccncc32)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)c4cccnc4n5-c4ccccc4)c23)cc1.c1ccc(-n2c3ccncc3c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)ccc32)cc1 |
| InChI | InChI=1S/3C41H26N4/c1-3-12-27(13-4-1)43-36-20-10-8-17-33(36)39-38(43)24-22-31-30-16-7-9-19-35(30)44(40(31)39)29-21-23-37-34(26-29)32-18-11-25-42-41(32)45(37)28-14-5-2-6-15-28;1-3-11-27(12-4-1)43-36-18-10-8-16-33(36)40-38(43)22-20-32-30-15-7-9-17-35(30)45(41(32)40)29-19-21-37-34(25-29)31-23-24-42-26-39(31)44(37)28-13-5-2-6-14-28;1-3-11-27(12-4-1)43-37-21-19-29(25-33(37)34-26-42-24-23-38(34)43)45-35-17-9-7-15-30(35)31-20-22-39-40(41(31)45)32-16-8-10-18-36(32)44(39)28-13-5-2-6-14-28/h3*1-26H |
| InChIKey | ZTJQUXOJHQXYMR-UHFFFAOYSA-N |
| XLogP | 31.12 |
| TPSA | 83.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 135 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1724.06 |
| LogP ≤ 5 | 31.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |