C165H111N15 — CID 163852198
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 163852198) has the molecular formula C165H111N15 and a molecular weight of 2303.81 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 163852198 |
| Molecular Formula | C165H111N15 |
| Molecular Weight | 2303.81 g/mol |
| Exact Mass | 2301.91 |
| IUPAC Name | 2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7-c7ccccc7)cc6)n5)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)nc(-c3ccc(-c4ccccc4-c4ccccc4)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)nc(-c3cccc(-c4ccccc4-c4ccccc4)c3)n2)cc1 |
| InChI | InChI=1S/3C55H37N5/c1-5-17-39(18-6-1)48-29-13-14-30-49(48)45-26-16-28-47(36-45)55-56-50(40-19-7-2-8-20-40)37-51(57-55)46-27-15-25-44(35-46)38-31-33-43(34-32-38)54-59-52(41-21-9-3-10-22-41)58-53(60-54)42-23-11-4-12-24-42;1-5-16-39(17-6-1)48-26-13-14-27-49(48)40-30-34-44(35-31-40)52-56-50(41-18-7-2-8-19-41)37-51(57-52)47-25-15-24-46(36-47)38-28-32-45(33-29-38)55-59-53(42-20-9-3-10-21-42)58-54(60-55)43-22-11-4-12-23-43;1-5-16-39(17-6-1)48-26-13-14-27-49(48)40-30-34-45(35-31-40)55-59-53(43-22-11-4-12-23-43)58-54(60-55)44-32-28-38(29-33-44)46-24-15-25-47(36-46)51-37-50(41-18-7-2-8-19-41)56-52(57-51)42-20-9-3-10-21-42/h3*1-37H |
| InChIKey | OVHVWQIOBCITRK-UHFFFAOYSA-N |
| XLogP | 40.99 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2303.81 |
| LogP ≤ 5 | 40.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |