C87H76N14 — CID 158573841
2-methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methyl-1,3,5-triazine (PubChem CID 158573841) has the molecular formula C87H76N14 and a molecular weight of 1317.66 g/mol. Its IUPAC name is 2-methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methyl-1,3,5-triazine.
| Compound Name | 2-methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methyl-1,3,5-triazine |
|---|---|
| PubChem CID | 158573841 |
| Molecular Formula | C87H76N14 |
| Molecular Weight | 1317.66 g/mol |
| Exact Mass | 1316.64 |
| IUPAC Name | 2-methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methyl-1,3,5-triazine |
| SMILES | Cc1cc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ncc2ccccc2n1.Cc1nccc(-c2ccccc2)n1.Cc1ncnc(-c2ccccc2)n1.Cc1ncncn1 |
| InChI | InChI=1S/2C18H15N.C17H14N2.C11H10N2.C10H9N3.C9H8N2.C4H5N3/c1-14-12-17(15-8-4-2-5-9-15)13-18(19-14)16-10-6-3-7-11-16;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16;1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15;1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;1-8-11-7-12-10(13-8)9-5-3-2-4-6-9;1-7-10-6-8-4-2-3-5-9(8)11-7;1-4-6-2-5-3-7-4/h2*2-13H,1H3;2-12H,1H3;2-8H,1H3;2-7H,1H3;2-6H,1H3;2-3H,1H3 |
| InChIKey | HSKJNHBVSKSZCM-UHFFFAOYSA-N |
| XLogP | 19.98 |
| TPSA | 180.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 101 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1317.66 |
| LogP ≤ 5 | 19.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |