C102H66N12 — CID 159102469
5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole (PubChem CID 159102469) has the molecular formula C102H66N12 and a molecular weight of 1459.73 g/mol. Its IUPAC name is 5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole.
| Compound Name | 5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole |
|---|---|
| PubChem CID | 159102469 |
| Molecular Formula | C102H66N12 |
| Molecular Weight | 1459.73 g/mol |
| Exact Mass | 1458.55 |
| IUPAC Name | 5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole |
| SMILES | c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ncccc4n5-c4ccccc4)cc3c3ccncc32)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(c4)c4cccnc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(c4)c4ccncc4n5-c4ccccc4)ccc32)cc1 |
| InChI | InChI=1S/3C34H22N4/c1-3-8-25(9-4-1)37-31-15-13-24(21-29(31)30-22-35-19-17-33(30)37)23-14-16-32-28(20-23)27-12-7-18-36-34(27)38(32)26-10-5-2-6-11-26;1-3-8-25(9-4-1)37-31-16-14-24(21-29(31)34-32(37)12-7-18-36-34)23-13-15-30-28(20-23)27-17-19-35-22-33(27)38(30)26-10-5-2-6-11-26;1-3-7-25(8-4-1)37-32-14-12-24(20-29(32)30-21-35-18-16-33(30)37)23-11-13-31-28(19-23)27-15-17-36-22-34(27)38(31)26-9-5-2-6-10-26/h3*1-22H |
| InChIKey | KDLOGILNNVXTIW-UHFFFAOYSA-N |
| XLogP | 25.01 |
| TPSA | 106.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 114 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1459.73 |
| LogP ≤ 5 | 25.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |