C171H108N12O3 — CID 159623580
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 159623580) has the molecular formula C171H108N12O3 and a molecular weight of 2378.83 g/mol. Its IUPAC name is 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.
| Compound Name | 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole |
|---|---|
| PubChem CID | 159623580 |
| Molecular Formula | C171H108N12O3 |
| Molecular Weight | 2378.83 g/mol |
| Exact Mass | 2376.87 |
| IUPAC Name | 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3-c3ccc4c(c3)oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3-c3ccc4oc5cc6c7ccccc7n(-c7ccccc7)c6cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1 |
| InChI | InChI=1S/3C57H36N4O/c1-5-18-37(19-6-1)42-26-13-14-27-43(42)40-32-33-44(50(34-40)57-59-55(38-20-7-2-8-21-38)58-56(60-57)39-22-9-3-10-23-39)46-29-17-30-47-49-35-52-48(36-53(49)62-54(46)47)45-28-15-16-31-51(45)61(52)41-24-11-4-12-25-41;1-5-17-37(18-6-1)43-25-13-14-26-44(43)40-29-31-45(50(34-40)57-59-55(38-19-7-2-8-20-38)58-56(60-57)39-21-9-3-10-22-39)41-30-32-53-48(33-41)49-35-52-47(36-54(49)62-53)46-27-15-16-28-51(46)61(52)42-23-11-4-12-24-42;1-5-17-37(18-6-1)43-25-13-14-26-44(43)40-29-31-45(50(33-40)57-59-55(38-19-7-2-8-20-38)58-56(60-57)39-21-9-3-10-22-39)41-30-32-47-49-35-52-48(36-54(49)62-53(47)34-41)46-27-15-16-28-51(46)61(52)42-23-11-4-12-24-42/h3*1-36H |
| InChIKey | MOEYBFVGHMDXQY-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 |