C136H85N17O3 — CID 165030562
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-2-phenylbenzimidazole;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165030562) has the molecular formula C136H85N17O3 and a molecular weight of 2005.29 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-2-phenylbenzimidazole;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-2-phenylbenzimidazole;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 165030562 |
| Molecular Formula | C136H85N17O3 |
| Molecular Weight | 2005.29 g/mol |
| Exact Mass | 2003.70 |
| IUPAC Name | 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-2-phenylbenzimidazole;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5oc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)n2)cc1 |
| InChI | InChI=1S/C54H34N6O.C42H26N6O.C40H25N5O/c1-5-15-37(16-6-1)49-55-50(38-17-7-2-8-18-38)58-53(57-49)41-29-25-35(26-30-41)43-33-45(48-46(34-43)44-23-13-14-24-47(44)61-48)36-27-31-42(32-28-36)54-59-51(39-19-9-3-10-20-39)56-52(60-54)40-21-11-4-12-22-40;1-5-13-27(14-6-1)37-43-38(28-15-7-2-8-16-28)46-41(45-37)31-21-23-33-34-24-22-32(26-36(34)49-35(33)25-31)42-47-39(29-17-9-3-10-18-29)44-40(48-42)30-19-11-4-12-20-30;1-4-14-26(15-5-1)37-42-38(27-16-6-2-7-17-27)44-39(43-37)30-24-25-33(35-29-20-10-13-23-34(29)46-36(30)35)45-32-22-12-11-21-31(32)41-40(45)28-18-8-3-9-19-28/h1-34H;1-26H;1-25H |
| InChIKey | MOWRWKFTUXCQSN-UHFFFAOYSA-N |
| XLogP | 33.03 |
| TPSA | 250.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 156 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2005.29 |
| LogP ≤ 5 | 33.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |