C161H105N15 — CID 161153615
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-phenylpyrido[4,3-b]indole;8-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole (PubChem CID 161153615) has the molecular formula C161H105N15 and a molecular weight of 2249.72 g/mol. Its IUPAC name is 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-phenylpyrido[4,3-b]indole;8-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole.
| Compound Name | 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-phenylpyrido[4,3-b]indole;8-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole |
|---|---|
| PubChem CID | 161153615 |
| Molecular Formula | C161H105N15 |
| Molecular Weight | 2249.72 g/mol |
| Exact Mass | 2247.87 |
| IUPAC Name | 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-phenylpyrido[4,3-b]indole;8-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole |
| SMILES | c1ccc(-c2ccc(-n3c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4c4ncccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4c4ncccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)c43)n2)cc1.c1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c3ncccc32)cc1 |
| InChI | InChI=1S/C44H28N6.2C41H27N3.C35H23N3/c1-4-13-29(14-5-1)42-46-43(30-15-6-2-7-16-30)48-44(47-42)50-38-22-11-10-19-34(38)35-21-12-20-33(41(35)50)31-23-24-39-36(27-31)37-28-45-26-25-40(37)49(39)32-17-8-3-9-18-32;1-3-12-28(13-4-1)29-14-9-17-32(26-29)43-38-24-23-30(27-36(38)40-39(43)22-11-25-42-40)33-19-10-20-35-34-18-7-8-21-37(34)44(41(33)35)31-15-5-2-6-16-31;1-3-11-28(12-4-1)29-20-23-32(24-21-29)43-38-25-22-30(27-36(38)40-39(43)19-10-26-42-40)33-16-9-17-35-34-15-7-8-18-37(34)44(41(33)35)31-13-5-2-6-14-31;1-3-11-25(12-4-1)37-32-21-20-24(23-30(32)34-33(37)19-10-22-36-34)27-16-9-17-29-28-15-7-8-18-31(28)38(35(27)29)26-13-5-2-6-14-26/h1-28H;2*1-27H;1-23H |
| InChIKey | UOZXVLWSWRTWNU-UHFFFAOYSA-N |
| XLogP | 40.62 |
| TPSA | 129.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2249.72 |
| LogP ≤ 5 | 40.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |