C156H134N6 — CID 160723624
2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine (PubChem CID 160723624) has the molecular formula C156H134N6 and a molecular weight of 2092.83 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine.
| Compound Name | 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine |
|---|---|
| PubChem CID | 160723624 |
| Molecular Formula | C156H134N6 |
| Molecular Weight | 2092.83 g/mol |
| Exact Mass | 2091.07 |
| IUPAC Name | 2-[4-(2,5-dimethylphenyl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[4-(2,3,5,6-tetramethylphenyl)phenyl]pyrimidine;2,4,6-tris[3-(2,5-dimethylphenyl)phenyl]pyridine;2,4,6-tris[4-(2,5-dimethylphenyl)phenyl]pyridine |
| SMILES | Cc1cc(C)c(C)c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1C.Cc1ccc(C)c(-c2ccc(-c3cc(-c4ccc(-c5cc(C)ccc5C)cc4)nc(-c4ccc(-c5cc(C)ccc5C)cc4)c3)cc2)c1.Cc1ccc(C)c(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c1.Cc1ccc(C)c(-c2cccc(-c3cc(-c4cccc(-c5cc(C)ccc5C)c4)nc(-c4cccc(-c5cc(C)ccc5C)c4)c3)c2)c1 |
| InChI | InChI=1S/2C47H41N.C32H28N2.C30H24N2/c1-30-7-10-33(4)43(25-30)37-15-13-36(14-16-37)42-28-46(40-21-17-38(18-22-40)44-26-31(2)8-11-34(44)5)48-47(29-42)41-23-19-39(20-24-41)45-27-32(3)9-12-35(45)6;1-30-16-19-33(4)43(22-30)37-11-7-10-36(25-37)42-28-46(40-14-8-12-38(26-40)44-23-31(2)17-20-34(44)5)48-47(29-42)41-15-9-13-39(27-41)45-24-32(3)18-21-35(45)6;1-21-19-22(2)24(4)31(23(21)3)27-17-15-26(16-18-27)30-20-29(25-11-7-5-8-12-25)33-32(34-30)28-13-9-6-10-14-28;1-21-13-14-22(2)27(19-21)23-15-17-26(18-16-23)30-31-28(24-9-5-3-6-10-24)20-29(32-30)25-11-7-4-8-12-25/h2*7-29H,1-6H3;5-20H,1-4H3;3-20H,1-2H3 |
| InChIKey | RTKPEHKZNHTTLL-UHFFFAOYSA-N |
| XLogP | 42.01 |
| TPSA | 77.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 162 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2092.83 |
| LogP ≤ 5 | 42.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |