C147H101N9 — CID 162144884
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 162144884) has the molecular formula C147H101N9 and a molecular weight of 1993.49 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 162144884 |
| Molecular Formula | C147H101N9 |
| Molecular Weight | 1993.49 g/mol |
| Exact Mass | 1991.82 |
| IUPAC Name | 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)c4)c3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3)c2)cc1 |
| InChI | InChI=1S/C57H39N3.C51H35N3.C39H27N3/c1-4-16-40(17-5-1)43-22-10-25-46(34-43)49-28-13-31-52(37-49)55-58-56(53-32-14-29-50(38-53)47-26-11-23-44(35-47)41-18-6-2-7-19-41)60-57(59-55)54-33-15-30-51(39-54)48-27-12-24-45(36-48)42-20-8-3-9-21-42;1-5-15-36(16-6-1)39-27-29-40(30-28-39)42-23-13-24-43(31-42)44-25-14-26-45(32-44)50-52-49(41-21-11-4-12-22-41)53-51(54-50)48-34-46(37-17-7-2-8-18-37)33-47(35-48)38-19-9-3-10-20-38;1-4-13-28(14-5-1)31-19-10-20-32(25-31)33-21-11-22-34(26-33)35-23-12-24-36(27-35)39-41-37(29-15-6-2-7-16-29)40-38(42-39)30-17-8-3-9-18-30/h1-39H;1-35H;1-27H |
| InChIKey | ZKKOKZFLRNBBGL-UHFFFAOYSA-N |
| XLogP | 37.96 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 156 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1993.49 |
| LogP ≤ 5 | 37.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |