C182H118N18 — CID 162144905
5-(2,6-diphenyl-4-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(2,4-diphenylpyrimidin-5-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole (PubChem CID 162144905) has the molecular formula C182H118N18 and a molecular weight of 2557.07 g/mol. Its IUPAC name is 5-(2,6-diphenyl-4-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(2,4-diphenylpyrimidin-5-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole.
| Compound Name | 5-(2,6-diphenyl-4-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(2,4-diphenylpyrimidin-5-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole |
|---|---|
| PubChem CID | 162144905 |
| Molecular Formula | C182H118N18 |
| Molecular Weight | 2557.07 g/mol |
| Exact Mass | 2554.98 |
| IUPAC Name | 5-(2,6-diphenyl-4-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(2,4-diphenylpyrimidin-5-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4ncccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4ncccc43)n2)cc1.c1ccc(-c2cc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4ncccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ncc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4ncccc43)c(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/2C46H30N4.2C45H29N5/c1-4-13-31(14-5-1)35-28-40(32-15-6-2-7-16-32)48-45(30-35)50-43-21-12-26-47-46(43)38-24-22-34(29-44(38)50)33-23-25-42-39(27-33)37-19-10-11-20-41(37)49(42)36-17-8-3-9-18-36;1-4-13-31(14-5-1)40-29-36(30-41(48-40)32-15-6-2-7-16-32)50-44-21-12-26-47-46(44)38-24-22-34(28-45(38)50)33-23-25-43-39(27-33)37-19-10-11-20-42(37)49(43)35-17-8-3-9-18-35;1-4-13-30(14-5-1)38-29-39(31-15-6-2-7-16-31)48-45(47-38)50-42-21-12-26-46-44(42)36-24-22-33(28-43(36)50)32-23-25-41-37(27-32)35-19-10-11-20-40(35)49(41)34-17-8-3-9-18-34;1-4-13-30(14-5-1)43-42(29-47-45(48-43)31-15-6-2-7-16-31)50-40-21-12-26-46-44(40)36-24-22-33(28-41(36)50)32-23-25-39-37(27-32)35-19-10-11-20-38(35)49(39)34-17-8-3-9-18-34/h2*1-30H;2*1-29H |
| InChIKey | ZKKPUDISBFSEDY-UHFFFAOYSA-N |
| XLogP | 45.48 |
| TPSA | 168.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2557.07 |
| LogP ≤ 5 | 45.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |