C206H130N14O4 — CID 157450327
9-(4-dibenzofuran-3-ylphenyl)-1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-4-ylphenyl)-1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(3-dibenzofuran-1-ylphenyl)-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 157450327) has the molecular formula C206H130N14O4 and a molecular weight of 2865.40 g/mol. Its IUPAC name is 9-(4-dibenzofuran-3-ylphenyl)-1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-4-ylphenyl)-1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(3-dibenzofuran-1-ylphenyl)-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 9-(4-dibenzofuran-3-ylphenyl)-1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-4-ylphenyl)-1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(3-dibenzofuran-1-ylphenyl)-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 157450327 |
| Molecular Formula | C206H130N14O4 |
| Molecular Weight | 2865.40 g/mol |
| Exact Mass | 2863.04 |
| IUPAC Name | 9-(4-dibenzofuran-3-ylphenyl)-1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-4-ylphenyl)-1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(3-dibenzofuran-1-ylphenyl)-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c6ccccc6n(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)c45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c6ccccc6n(-c6cccc(-c7cccc8oc9ccccc9c78)c6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6-c6cccc7c6oc6ccccc67)c45)c3)n2)cc1 |
| InChI | InChI=1S/2C52H33N3O.2C51H32N4O/c1-3-14-35(15-4-1)46-33-47(36-16-5-2-6-17-36)54-52(53-46)38-19-11-18-37(32-38)40-22-12-24-44-42-20-7-9-26-48(42)55(50(40)44)39-30-28-34(29-31-39)41-23-13-25-45-43-21-8-10-27-49(43)56-51(41)45;1-3-12-36(13-4-1)46-33-47(37-14-5-2-6-15-37)54-52(53-46)38-24-22-35(23-25-38)41-18-11-19-45-42-16-7-9-20-48(42)55(51(41)45)40-29-26-34(27-30-40)39-28-31-44-43-17-8-10-21-49(43)56-50(44)32-39;1-3-16-33(17-4-1)49-52-50(34-18-5-2-6-19-34)54-51(53-49)36-21-13-20-35(32-36)37-25-14-26-41-38-22-7-10-29-44(38)55(47(37)41)45-30-11-8-23-39(45)42-27-15-28-43-40-24-9-12-31-46(40)56-48(42)43;1-3-14-34(15-4-1)49-52-50(35-16-5-2-6-17-35)54-51(53-49)36-30-28-33(29-31-36)40-23-12-24-42-41-20-7-9-25-44(41)55(48(40)42)38-19-11-18-37(32-38)39-22-13-27-46-47(39)43-21-8-10-26-45(43)56-46/h2*1-33H;2*1-32H |
| InChIKey | BSSLJGOUZNAYIY-UHFFFAOYSA-N |
| XLogP | 54.02 |
| TPSA | 201.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2865.40 |
| LogP ≤ 5 | 54.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |