C171H105N15O3 — CID 158192796
9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 158192796) has the molecular formula C171H105N15O3 and a molecular weight of 2417.82 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | 9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 158192796 |
| Molecular Formula | C171H105N15O3 |
| Molecular Weight | 2417.82 g/mol |
| Exact Mass | 2415.85 |
| IUPAC Name | 9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1 |
| InChI | InChI=1S/3C57H35N5O/c1-2-15-37(16-3-1)55-58-56(38-31-29-36(30-32-38)42-22-14-28-53-54(42)47-21-8-13-27-52(47)63-53)60-57(59-55)39-33-40(61-48-23-9-4-17-43(48)44-18-5-10-24-49(44)61)35-41(34-39)62-50-25-11-6-19-45(50)46-20-7-12-26-51(46)62;1-2-14-37(15-3-1)55-58-56(38-28-26-36(27-29-38)39-30-31-54-48(34-39)47-20-8-13-25-53(47)63-54)60-57(59-55)40-32-41(61-49-21-9-4-16-43(49)44-17-5-10-22-50(44)61)35-42(33-40)62-51-23-11-6-18-45(51)46-19-7-12-24-52(46)62;1-2-14-37(15-3-1)55-58-56(38-28-26-36(27-29-38)39-30-31-48-47-20-8-13-25-53(47)63-54(48)34-39)60-57(59-55)40-32-41(61-49-21-9-4-16-43(49)44-17-5-10-22-50(44)61)35-42(33-40)62-51-23-11-6-18-45(51)46-19-7-12-24-52(46)62/h3*1-35H |
| InChIKey | FZYWTDYIJSCVFP-UHFFFAOYSA-N |
| XLogP | 43.90 |
| TPSA | 185.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2417.82 |
| LogP ≤ 5 | 43.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |