C168H108N18 — CID 158303193
5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenyl-2-pyridinyl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenylpyrimidin-2-yl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole (PubChem CID 158303193) has the molecular formula C168H108N18 and a molecular weight of 2378.84 g/mol. Its IUPAC name is 5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenyl-2-pyridinyl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenylpyrimidin-2-yl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole.
| Compound Name | 5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenyl-2-pyridinyl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenylpyrimidin-2-yl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole |
|---|---|
| PubChem CID | 158303193 |
| Molecular Formula | C168H108N18 |
| Molecular Weight | 2378.84 g/mol |
| Exact Mass | 2376.90 |
| IUPAC Name | 5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenyl-2-pyridinyl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenylpyrimidin-2-yl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5ncccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c4ncccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5ncccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c4ncccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ncccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)c2)cc1 |
| InChI | InChI=1S/C57H37N5.C56H36N6.C55H35N7/c1-5-16-38(17-6-1)44-34-49(40-20-9-3-10-21-40)59-55(36-44)61-51-25-14-13-24-46(51)47-32-42(27-29-52(47)61)43-28-30-53-48(33-43)57-54(26-15-31-58-57)62(53)56-37-45(39-18-7-2-8-19-39)35-50(60-56)41-22-11-4-12-23-41;1-5-15-37(16-6-1)43-33-47(39-19-9-3-10-20-39)59-53(35-43)61-49-27-25-41(31-45(49)55-51(61)23-13-29-57-55)42-26-28-50-46(32-42)56-52(24-14-30-58-56)62(50)54-36-44(38-17-7-2-8-18-38)34-48(60-54)40-21-11-4-12-22-40;1-5-15-36(16-6-1)42-33-45(37-17-7-2-8-18-37)58-52(34-42)61-48-27-25-40(31-43(48)53-50(61)23-13-29-56-53)41-26-28-49-44(32-41)54-51(24-14-30-57-54)62(49)55-59-46(38-19-9-3-10-20-38)35-47(60-55)39-21-11-4-12-22-39/h1-37H;1-36H;1-35H |
| InChIKey | GMTBZRYLDDIQHM-UHFFFAOYSA-N |
| XLogP | 41.39 |
| TPSA | 184.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2378.84 |
| LogP ≤ 5 | 41.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |