C176H112N24 — CID 158904790
2-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole (PubChem CID 158904790) has the molecular formula C176H112N24 and a molecular weight of 2563.00 g/mol. Its IUPAC name is 2-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole.
| Compound Name | 2-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole |
|---|---|
| PubChem CID | 158904790 |
| Molecular Formula | C176H112N24 |
| Molecular Weight | 2563.00 g/mol |
| Exact Mass | 2560.95 |
| IUPAC Name | 2-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccn3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)cc32)cc1 |
| InChI | InChI=1S/2C45H29N5.2C43H27N7/c1-3-13-30(14-4-1)45-47-39(38-19-11-12-26-46-38)29-44(48-45)50-41-21-10-8-18-35(41)37-27-31(23-25-42(37)50)32-22-24-36-34-17-7-9-20-40(34)49(43(36)28-32)33-15-5-2-6-16-33;1-3-11-31(12-4-1)45-47-39(30-23-25-46-26-24-30)29-44(48-45)50-41-18-10-8-16-36(41)38-27-32(20-22-42(38)50)33-19-21-37-35-15-7-9-17-40(35)49(43(37)28-33)34-13-5-2-6-14-34;1-2-12-30(13-3-1)49-37-18-6-4-14-31(37)33-22-20-29(27-40(33)49)28-21-23-39-34(26-28)32-15-5-7-19-38(32)50(39)43-47-41(35-16-8-10-24-44-35)46-42(48-43)36-17-9-11-25-45-36;1-2-8-32(9-3-1)49-37-12-6-4-10-33(37)35-16-14-31(27-40(35)49)30-15-17-39-36(26-30)34-11-5-7-13-38(34)50(39)43-47-41(28-18-22-44-23-19-28)46-42(48-43)29-20-24-45-25-21-29/h2*1-29H;2*1-27H |
| InChIKey | JFXFSMIPTPVXNA-UHFFFAOYSA-N |
| XLogP | 41.85 |
| TPSA | 245.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2563.00 |
| LogP ≤ 5 | 41.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |