C189H117N15O3 — CID 160833740
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 160833740) has the molecular formula C189H117N15O3 and a molecular weight of 2646.12 g/mol. Its IUPAC name is 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole.
| Compound Name | 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 160833740 |
| Molecular Formula | C189H117N15O3 |
| Molecular Weight | 2646.12 g/mol |
| Exact Mass | 2643.95 |
| IUPAC Name | 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1 |
| InChI | InChI=1S/3C63H39N5O/c1-5-20-40(21-6-1)61-64-62(41-22-7-2-8-23-41)66-63(65-61)49-32-19-37-56-59(49)51-39-42(45-30-17-35-54-57(45)47-28-13-15-33-52(47)67(54)43-24-9-3-10-25-43)38-50(60(51)69-56)46-31-18-36-55-58(46)48-29-14-16-34-53(48)68(55)44-26-11-4-12-27-44;1-5-18-40(19-6-1)61-64-62(41-20-7-2-8-21-41)66-63(65-61)51-28-17-31-58-59(51)53-37-44(42-32-34-49-47-26-13-15-29-54(47)67(56(49)38-42)45-22-9-3-10-23-45)36-52(60(53)69-58)43-33-35-50-48-27-14-16-30-55(48)68(57(50)39-43)46-24-11-4-12-25-46;1-5-18-40(19-6-1)61-64-62(41-20-7-2-8-21-41)66-63(65-61)49-28-17-31-58-59(49)53-39-44(42-32-34-56-51(36-42)47-26-13-15-29-54(47)67(56)45-22-9-3-10-23-45)38-50(60(53)69-58)43-33-35-57-52(37-43)48-27-14-16-30-55(48)68(57)46-24-11-4-12-25-46/h3*1-39H |
| InChIKey | SHDIJJBQFOMWGR-UHFFFAOYSA-N |
| XLogP | 48.90 |
| TPSA | 185.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 207 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2646.12 |
| LogP ≤ 5 | 48.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |