C155H101N13 — CID 162011548
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole (PubChem CID 162011548) has the molecular formula C155H101N13 and a molecular weight of 2145.60 g/mol. Its IUPAC name is 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole.
| Compound Name | 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole |
|---|---|
| PubChem CID | 162011548 |
| Molecular Formula | C155H101N13 |
| Molecular Weight | 2145.60 g/mol |
| Exact Mass | 2143.83 |
| IUPAC Name | 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole |
| SMILES | c1ccc(-c2cc(-c3ccc(-n4c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c5cccnc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c5cccnc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c5cccnc54)cc3)c2)cc1 |
| InChI | InChI=1S/2C52H34N4.C51H33N5/c1-4-14-36(15-5-1)47-32-39(33-48(54-47)37-16-6-2-7-17-37)35-25-28-41(29-26-35)56-50-34-38(27-30-44(50)46-23-13-31-53-52(46)56)42-21-12-22-45-43-20-10-11-24-49(43)55(51(42)45)40-18-8-3-9-19-40;1-4-14-35(15-5-1)39-32-47(36-16-6-2-7-17-36)54-48(33-39)37-25-28-41(29-26-37)56-50-34-38(27-30-44(50)46-23-13-31-53-52(46)56)42-21-12-22-45-43-20-10-11-24-49(43)55(51(42)45)40-18-8-3-9-19-40;1-4-14-34(15-5-1)45-33-46(54-50(53-45)36-16-6-2-7-17-36)35-25-28-39(29-26-35)56-48-32-37(27-30-42(48)44-23-13-31-52-51(44)56)40-21-12-22-43-41-20-10-11-24-47(41)55(49(40)43)38-18-8-3-9-19-38/h2*1-34H;1-33H |
| InChIKey | YTNWFILLFZCANX-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 |