C145H89N13O3 — CID 164982376
2-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;2-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 164982376) has the molecular formula C145H89N13O3 and a molecular weight of 2061.39 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;2-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 2-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;2-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 164982376 |
| Molecular Formula | C145H89N13O3 |
| Molecular Weight | 2061.39 g/mol |
| Exact Mass | 2059.72 |
| IUPAC Name | 2-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;2-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)c4ccccc34)n2)cc1 |
| InChI | InChI=1S/C51H31N5O.C49H30N4O.C45H28N4O/c1-3-13-32(14-4-1)49-52-50(35-24-27-39-37-17-7-10-20-43(37)55(45(39)31-35)36-15-5-2-6-16-36)54-51(53-49)56-44-21-11-8-18-38(44)40-26-23-34(30-46(40)56)33-25-28-48-42(29-33)41-19-9-12-22-47(41)57-48;1-3-13-31(14-4-1)47-50-48(32-15-5-2-6-16-32)52-49(51-47)40-26-27-43(36-18-8-7-17-35(36)40)53-42-21-11-9-19-37(42)38-25-23-34(30-44(38)53)33-24-28-46-41(29-33)39-20-10-12-22-45(39)54-46;1-4-12-29(13-5-1)33-20-23-35-36-24-21-34(32-22-25-42-38(26-32)37-18-10-11-19-41(37)50-42)28-40(36)49(39(35)27-33)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31/h1-31H;1-30H;1-28H |
| InChIKey | FRFMDOWSMWUJRZ-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 |