C181H117N19 — CID 161365173
9-(2,6-diphenyl-4-pyridinyl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(2,4-diphenylpyrimidin-5-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(2,6-diphenylpyrimidin-4-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole (PubChem CID 161365173) has the molecular formula C181H117N19 and a molecular weight of 2558.06 g/mol. Its IUPAC name is 9-(2,6-diphenyl-4-pyridinyl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(2,4-diphenylpyrimidin-5-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(2,6-diphenylpyrimidin-4-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole.
| Compound Name | 9-(2,6-diphenyl-4-pyridinyl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(2,4-diphenylpyrimidin-5-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(2,6-diphenylpyrimidin-4-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole |
|---|---|
| PubChem CID | 161365173 |
| Molecular Formula | C181H117N19 |
| Molecular Weight | 2558.06 g/mol |
| Exact Mass | 2555.97 |
| IUPAC Name | 9-(2,6-diphenyl-4-pyridinyl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(2,4-diphenylpyrimidin-5-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(2,6-diphenylpyrimidin-4-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4c4cccnc43)n2)cc1.c1ccc(-c2cc(-n3c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4c4cccnc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4c4cccnc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ncc(-n3c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4c4cccnc43)c(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C46H30N4.3C45H29N5/c1-4-14-31(15-5-1)40-29-35(30-41(48-40)32-16-6-2-7-17-32)50-44-28-33(25-26-37(44)38-22-13-27-47-46(38)50)36-21-12-24-43-45(36)39-20-10-11-23-42(39)49(43)34-18-8-3-9-19-34;1-4-14-30(15-5-1)38-29-39(31-16-6-2-7-17-31)48-45(47-38)50-42-28-32(25-26-35(42)36-22-13-27-46-44(36)50)34-21-12-24-41-43(34)37-20-10-11-23-40(37)49(41)33-18-8-3-9-19-33;1-4-14-30(15-5-1)38-29-42(48-44(47-38)31-16-6-2-7-17-31)50-41-28-32(25-26-35(41)36-22-13-27-46-45(36)50)34-21-12-24-40-43(34)37-20-10-11-23-39(37)49(40)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43-41(29-47-44(48-43)31-16-6-2-7-17-31)50-40-28-32(25-26-35(40)36-22-13-27-46-45(36)50)34-21-12-24-39-42(34)37-20-10-11-23-38(37)49(39)33-18-8-3-9-19-33/h1-30H;3*1-29H |
| InChIKey | VPSGNNSUQAFIOF-UHFFFAOYSA-N |
| XLogP | 44.87 |
| TPSA | 181.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2558.06 |
| LogP ≤ 5 | 44.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |