C144H106N12 — CID 164951309
2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 164951309) has the molecular formula C144H106N12 and a molecular weight of 2004.52 g/mol. Its IUPAC name is 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 164951309 |
| Molecular Formula | C144H106N12 |
| Molecular Weight | 2004.52 g/mol |
| Exact Mass | 2002.87 |
| IUPAC Name | 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine |
| SMILES | Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)n3)cc2)c(C)n1.Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)n3)c2)c(C)n1.Cc1ccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4)cc3)n2)c(C)n1 |
| InChI | InChI=1S/C52H38N4.2C46H34N4/c1-35-27-32-44(36(2)53-35)45-25-15-16-26-46(45)52-55-50(41-23-13-6-14-24-41)54-51(56-52)42-30-28-37(29-31-42)43-33-47(38-17-7-3-8-18-38)49(40-21-11-5-12-22-40)48(34-43)39-19-9-4-10-20-39;1-31-21-27-41(32(2)47-31)39-19-12-20-40(29-39)46-49-44(36-17-10-5-11-18-36)48-45(50-46)37-24-22-35(23-25-37)42-28-26-38(33-13-6-3-7-14-33)30-43(42)34-15-8-4-9-16-34;1-31-18-28-41(32(2)47-31)35-19-23-38(24-20-35)45-48-44(37-16-10-5-11-17-37)49-46(50-45)39-25-21-36(22-26-39)42-29-27-40(33-12-6-3-7-13-33)30-43(42)34-14-8-4-9-15-34/h3-34H,1-2H3;2*3-30H,1-2H3 |
| InChIKey | AOMNYAPEVQUQCJ-UHFFFAOYSA-N |
| XLogP | 36.32 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 156 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2004.52 |
| LogP ≤ 5 | 36.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |