C171H108N12O3 — CID 160729855
9-phenyl-1-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-3-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 160729855) has the molecular formula C171H108N12O3 and a molecular weight of 2378.83 g/mol. Its IUPAC name is 9-phenyl-1-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-3-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 9-phenyl-1-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-3-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 160729855 |
| Molecular Formula | C171H108N12O3 |
| Molecular Weight | 2378.83 g/mol |
| Exact Mass | 2376.87 |
| IUPAC Name | 9-phenyl-1-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-3-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)n5)ccc(-c5ccccc5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5nc(-c6ccccc6)nc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5)ccc(-c5ccccc5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5nc(-c6ccccc6)nc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)n5)ccc(-c5ccccc5)c4c3c2)cc1 |
| InChI | InChI=1S/3C57H36N4O/c1-6-19-37(20-7-1)41-35-48(39-23-10-3-11-24-39)53-49(36-41)51-43(38-21-8-2-9-22-38)33-34-47(54(51)62-53)57-59-55(40-25-12-4-13-26-40)58-56(60-57)46-31-18-30-45-44-29-16-17-32-50(44)61(52(45)46)42-27-14-5-15-28-42;1-6-18-37(19-7-1)42-35-47(39-22-10-3-11-23-39)53-49(36-42)52-44(38-20-8-2-9-21-38)31-32-46(54(52)62-53)57-59-55(40-24-12-4-13-25-40)58-56(60-57)41-30-33-51-48(34-41)45-28-16-17-29-50(45)61(51)43-26-14-5-15-27-43;1-6-18-37(19-7-1)42-34-48(39-22-10-3-11-23-39)53-49(35-42)52-44(38-20-8-2-9-21-38)32-33-47(54(52)62-53)57-59-55(40-24-12-4-13-25-40)58-56(60-57)41-30-31-46-45-28-16-17-29-50(45)61(51(46)36-41)43-26-14-5-15-27-43/h3*1-36H |
| InChIKey | RUEOXCSSFRDRKC-UHFFFAOYSA-N |
| XLogP | 44.61 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2378.83 |
| LogP ≤ 5 | 44.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |