C188H120N22 — CID 158431213
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)pyrido[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 158431213) has the molecular formula C188H120N22 and a molecular weight of 2687.18 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)pyrido[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 | 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)pyrido[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 | 158431213 |
| Molecular Formula | C188H120N22 |
| Molecular Weight | 2687.18 g/mol |
| Exact Mass | 2685.01 |
| IUPAC Name | 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)pyrido[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(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4cccnc43)n2)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/C51H33N5.C50H32N6.C44H28N6.C43H27N5/c1-2-11-40(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;1-4-13-29(14-5-1)41-46-42(30-15-6-2-7-16-30)48-44(47-41)50-40-28-32(22-24-35(40)36-20-12-26-45-43(36)50)31-23-25-39-37(27-31)34-19-10-11-21-38(34)49(39)33-17-8-3-9-18-33;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/h1-33H;1-32H;1-28H;1-27H |
| InChIKey | HBRHOYBYCXSNBE-UHFFFAOYSA-N |
| XLogP | 45.88 |
| TPSA | 219.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2687.18 |
| LogP ≤ 5 | 45.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |