C120H78N12 — CID 159241649
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-5-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;9-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole (PubChem CID 159241649) has the molecular formula C120H78N12 and a molecular weight of 1688.03 g/mol. Its IUPAC name is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-5-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;9-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole.
| Compound Name | 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-5-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;9-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole |
|---|---|
| PubChem CID | 159241649 |
| Molecular Formula | C120H78N12 |
| Molecular Weight | 1688.03 g/mol |
| Exact Mass | 1686.65 |
| IUPAC Name | 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-5-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;9-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc6c5c5cccnc5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5c5cccnc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccncc4n5-c4ccccc4)ccc32)cc1 |
| InChI | InChI=1S/C44H28N6.C41H27N3.C35H23N3/c1-4-14-29(15-5-1)41-46-42(30-16-6-2-7-17-30)48-44(47-41)50-37-23-11-10-20-34(37)36-28-31(25-26-38(36)50)33-21-12-24-39-40(33)35-22-13-27-45-43(35)49(39)32-18-8-3-9-19-32;1-3-11-28(12-4-1)29-20-23-32(24-21-29)43-37-18-8-7-15-34(37)36-27-30(22-25-38(36)43)33-16-9-19-39-40(33)35-17-10-26-42-41(35)44(39)31-13-5-2-6-14-31;1-3-10-25(11-4-1)37-31-16-8-7-14-28(31)30-22-24(18-19-32(30)37)27-15-9-17-33-35(27)29-20-21-36-23-34(29)38(33)26-12-5-2-6-13-26/h1-28H;1-27H;1-23H |
| InChIKey | KUEDZTXKJKQOAV-UHFFFAOYSA-N |
| XLogP | 30.01 |
| TPSA | 106.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 132 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1688.03 |
| LogP ≤ 5 | 30.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |