C208H132N12O4 — CID 158166248
9-(2-dibenzofuran-4-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 158166248) has the molecular formula C208H132N12O4 and a molecular weight of 2863.42 g/mol. Its IUPAC name is 9-(2-dibenzofuran-4-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 9-(2-dibenzofuran-4-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158166248 |
| Molecular Formula | C208H132N12O4 |
| Molecular Weight | 2863.42 g/mol |
| Exact Mass | 2861.05 |
| IUPAC Name | 9-(2-dibenzofuran-4-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cccc5c4oc4ccccc45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3cccc4c3oc3ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3cccc4c3oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/C53H34N2O.2C52H33N3O.C51H32N4O/c1-3-15-35(16-4-1)47-33-40(34-48(54-47)36-17-5-2-6-18-36)38-20-13-19-37(31-38)39-29-30-51-46(32-39)42-22-8-11-27-50(42)55(51)49-26-10-7-21-41(49)44-24-14-25-45-43-23-9-12-28-52(43)56-53(44)45;1-3-16-34(17-4-1)45-33-46(35-18-5-2-6-19-35)54-52(53-45)43-24-8-7-20-37(43)36-30-31-49-44(32-36)39-22-10-13-28-48(39)55(49)47-27-12-9-21-38(47)41-25-15-26-42-40-23-11-14-29-50(40)56-51(41)42;1-3-16-34(17-4-1)45-33-46(54-52(53-45)35-18-5-2-6-19-35)38-21-8-7-20-37(38)36-30-31-49-44(32-36)40-23-10-13-28-48(40)55(49)47-27-12-9-22-39(47)42-25-15-26-43-41-24-11-14-29-50(41)56-51(42)43;1-3-16-33(17-4-1)49-52-50(34-18-5-2-6-19-34)54-51(53-49)42-24-8-7-20-36(42)35-30-31-46-43(32-35)38-22-10-13-28-45(38)55(46)44-27-12-9-21-37(44)40-25-15-26-41-39-23-11-14-29-47(39)56-48(40)41/h1-34H;2*1-33H;1-32H |
| InChIKey | FWWLDQRIIPUKSN-UHFFFAOYSA-N |
| XLogP | 55.23 |
| TPSA | 175.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2863.42 |
| LogP ≤ 5 | 55.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |