C172H106N14O3 — CID 158764250
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 158764250) has the molecular formula C172H106N14O3 and a molecular weight of 2416.83 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
| Compound Name | 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole |
|---|---|
| PubChem CID | 158764250 |
| Molecular Formula | C172H106N14O3 |
| Molecular Weight | 2416.83 g/mol |
| Exact Mass | 2414.86 |
| IUPAC Name | 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7)c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6c5)ccc43)n2)cc1 |
| InChI | InChI=1S/C58H36N4O.2C57H35N5O/c1-3-14-38(15-4-1)50-36-51(39-16-5-2-6-17-39)60-58(59-50)62-53-24-11-8-19-45(53)49-34-40(29-33-54(49)62)41-28-32-46-44-18-7-10-23-52(44)61(55(46)35-41)42-30-26-37(27-31-42)43-21-13-22-48-47-20-9-12-25-56(47)63-57(43)48;1-3-14-37(15-4-1)55-58-56(38-16-5-2-6-17-38)60-57(59-55)62-50-24-11-8-19-44(50)48-34-39(29-33-51(48)62)40-28-32-45-43-18-7-10-23-49(43)61(52(45)35-40)41-30-26-36(27-31-41)42-21-13-22-47-46-20-9-12-25-53(46)63-54(42)47;1-3-13-37(14-4-1)55-58-56(38-15-5-2-6-16-38)60-57(59-55)62-50-21-11-8-18-44(50)47-33-40(26-31-51(47)62)41-25-30-45-43-17-7-10-20-49(43)61(52(45)35-41)42-28-23-36(24-29-42)39-27-32-54-48(34-39)46-19-9-12-22-53(46)63-54/h1-36H;2*1-35H |
| InChIKey | IPBCKQFTZASBIN-UHFFFAOYSA-N |
| XLogP | 44.50 |
| TPSA | 172.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2416.83 |
| LogP ≤ 5 | 44.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |