C156H96N18O3 — CID 157395977
9-[4-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 157395977) has the molecular formula C156H96N18O3 and a molecular weight of 2270.61 g/mol. Its IUPAC name is 9-[4-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | 9-[4-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 157395977 |
| Molecular Formula | C156H96N18O3 |
| Molecular Weight | 2270.61 g/mol |
| Exact Mass | 2268.79 |
| IUPAC Name | 9-[4-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc5oc6cccc(-c7nc8ccccc8n7-c7ccccc7)c6c45)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7n6-c6ccccc6)c5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7n6-c6ccccc6)c5c34)n2)cc1 |
| InChI | InChI=1S/3C52H32N6O/c1-3-16-33(17-4-1)49-54-50(34-18-13-21-36(32-34)57-42-27-10-7-22-37(42)38-23-8-11-28-43(38)57)56-51(55-49)39-24-14-30-45-47(39)48-40(25-15-31-46(48)59-45)52-53-41-26-9-12-29-44(41)58(52)35-19-5-2-6-20-35;1-3-15-33(16-4-1)49-54-50(34-29-31-36(32-30-34)57-42-24-10-7-19-37(42)38-20-8-11-25-43(38)57)56-51(55-49)39-21-13-27-45-47(39)48-40(22-14-28-46(48)59-45)52-53-41-23-9-12-26-44(41)58(52)35-17-5-2-6-18-35;1-3-15-33(16-4-1)34-29-31-35(32-30-34)49-54-50(56-52(55-49)58-42-24-10-7-19-37(42)38-20-8-11-25-43(38)58)39-21-13-27-45-47(39)48-40(22-14-28-46(48)59-45)51-53-41-23-9-12-26-44(41)57(51)36-17-5-2-6-18-36/h3*1-32H |
| InChIKey | BMOPPTIOLIVFJU-UHFFFAOYSA-N |
| XLogP | 38.62 |
| TPSA | 223.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 177 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2270.61 |
| LogP ≤ 5 | 38.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |