C196H126N20 — CID 157399760
7-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]pyrido[2,3-b]indole (PubChem CID 157399760) has the molecular formula C196H126N20 and a molecular weight of 2761.30 g/mol. Its IUPAC name is 7-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]pyrido[2,3-b]indole.
| Compound Name | 7-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]pyrido[2,3-b]indole |
|---|---|
| PubChem CID | 157399760 |
| Molecular Formula | C196H126N20 |
| Molecular Weight | 2761.30 g/mol |
| Exact Mass | 2759.05 |
| IUPAC Name | 7-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]pyrido[2,3-b]indole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8cccnc8n(-c8ccccc8)c7c6)ccc54)cc3)c2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c7cccnc7n(-c7ccccc7)c6c5)ccc43)nc3ccccc23)cc1.c1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)cc4)ccc3c3cccnc32)cc1.c1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)ccc3c3cccnc32)cc1 |
| InChI | InChI=1S/C52H34N4.C51H33N5.C50H32N6.C43H27N5/c1-4-13-35(14-5-1)40-32-47(36-15-6-2-7-16-36)54-48(33-40)37-22-26-42(27-23-37)55-49-21-11-10-19-43(49)46-31-38(25-29-50(46)55)39-24-28-44-45-20-12-30-53-52(45)56(51(44)34-39)41-17-8-3-9-18-41;1-2-11-40(12-3-1)56-50-33-36(20-24-43(50)44-14-10-28-54-51(44)56)35-21-25-49-45(32-35)42-13-4-5-17-48(42)55(49)41-22-18-34(19-23-41)37-29-38(46-15-6-8-26-52-46)31-39(30-37)47-16-7-9-27-53-47;1-2-11-37(12-3-1)56-49-32-35(20-24-40(49)41-14-10-28-53-50(41)56)34-21-25-48-42(29-34)39-13-4-5-17-47(39)55(48)38-22-18-33(19-23-38)36-30-45(43-15-6-8-26-51-43)54-46(31-36)44-16-7-9-27-52-44;1-3-12-28(13-4-1)41-35-17-7-9-19-37(35)45-43(46-41)48-38-20-10-8-16-32(38)36-26-29(22-24-39(36)48)30-21-23-33-34-18-11-25-44-42(34)47(40(33)27-30)31-14-5-2-6-15-31/h1-34H;1-33H;1-32H;1-27H |
| InChIKey | BMZWBFBABHWJDW-UHFFFAOYSA-N |
| XLogP | 48.75 |
| TPSA | 194.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 216 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2761.30 |
| LogP ≤ 5 | 48.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |