C145H89N13O3 — CID 165107599
2-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;6-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole (PubChem CID 165107599) has the molecular formula C145H89N13O3 and a molecular weight of 2061.39 g/mol. Its IUPAC name is 2-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;6-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole.
| Compound Name | 2-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;6-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole |
|---|---|
| PubChem CID | 165107599 |
| Molecular Formula | C145H89N13O3 |
| Molecular Weight | 2061.39 g/mol |
| Exact Mass | 2059.72 |
| IUPAC Name | 2-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;6-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole |
| SMILES | c1ccc(-c2ccc3c4cc(-c5cccc6c5oc5ccccc56)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c4ccccc34)n2)cc1 |
| InChI | InChI=1S/C51H31N5O.C49H30N4O.C45H28N4O/c1-3-14-32(15-4-1)49-52-50(34-26-28-39-37-18-7-10-23-43(37)55(46(39)31-34)35-16-5-2-6-17-35)54-51(53-49)56-44-24-11-8-19-38(44)42-30-33(27-29-45(42)56)36-21-13-22-41-40-20-9-12-25-47(40)57-48(36)41;1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)40-27-29-43(36-19-8-7-18-35(36)40)53-42-24-11-9-20-37(42)41-30-33(26-28-44(41)53)34-22-13-23-39-38-21-10-12-25-45(38)54-46(34)39;1-4-13-29(14-5-1)32-23-25-35-38-27-33(34-20-12-21-37-36-19-10-11-22-41(36)50-42(34)37)24-26-39(38)49(40(35)28-32)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-31H;1-30H;1-28H |
| InChIKey | ZKFDXRZUNIENOF-UHFFFAOYSA-N |
| XLogP | 37.19 |
| TPSA | 175.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2061.39 |
| LogP ≤ 5 | 37.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |