C155H101N13 — CID 159460585
6-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole (PubChem CID 159460585) has the molecular formula C155H101N13 and a molecular weight of 2145.60 g/mol. Its IUPAC name is 6-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole.
| Compound Name | 6-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole |
|---|---|
| PubChem CID | 159460585 |
| Molecular Formula | C155H101N13 |
| Molecular Weight | 2145.60 g/mol |
| Exact Mass | 2143.83 |
| IUPAC Name | 6-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole |
| SMILES | c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)c3)c2)cc1.c1ccc(-n2c3ccc(-c4cccc5c4c4ccccc4n5-c4cccc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)c4)cc3c3cccnc32)cc1 |
| InChI | InChI=1S/2C52H34N4.C51H33N5/c1-4-15-35(16-5-1)39-33-46(36-17-6-2-7-18-36)54-47(34-39)38-19-12-22-41(31-38)55-48-26-11-10-23-44(48)51-42(24-13-27-50(51)55)37-28-29-49-45(32-37)43-25-14-30-53-52(43)56(49)40-20-8-3-9-21-40;1-4-15-35(16-5-1)46-33-39(34-47(54-46)36-17-6-2-7-18-36)37-19-12-22-41(31-37)55-48-26-11-10-23-44(48)51-42(24-13-27-50(51)55)38-28-29-49-45(32-38)43-25-14-30-53-52(43)56(49)40-20-8-3-9-21-40;1-2-14-39(15-3-1)56-48-25-24-35(33-44(48)42-19-12-28-54-51(42)56)41-18-11-23-49-50(41)43-17-4-5-22-47(43)55(49)40-16-10-13-34(32-40)36-29-37(45-20-6-8-26-52-45)31-38(30-36)46-21-7-9-27-53-46/h2*1-34H;1-33H |
| InChIKey | LUNUEQCSHZNARM-UHFFFAOYSA-N |
| XLogP | 39.41 |
| TPSA | 119.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2145.60 |
| LogP ≤ 5 | 39.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |