C82H73N15 — CID 158519309
4-methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyrazine;2-methylpyrimidine;2-methyl-1,3,5-triazine (PubChem CID 158519309) has the molecular formula C82H73N15 and a molecular weight of 1268.59 g/mol. Its IUPAC name is 4-methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyrazine;2-methylpyrimidine;2-methyl-1,3,5-triazine.
| Compound Name | 4-methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyrazine;2-methylpyrimidine;2-methyl-1,3,5-triazine |
|---|---|
| PubChem CID | 158519309 |
| Molecular Formula | C82H73N15 |
| Molecular Weight | 1268.59 g/mol |
| Exact Mass | 1267.62 |
| IUPAC Name | 4-methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyrazine;2-methylpyrimidine;2-methyl-1,3,5-triazine |
| SMILES | Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cnccn1.Cc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ncccn1.Cc1ncncn1 |
| InChI | InChI=1S/C18H15N.2C17H14N2.C16H13N3.2C5H6N2.C4H5N3/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16;1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15;1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-4-6-2-5-3-7-4/h2-13H,1H3;2*2-12H,1H3;2-11H,1H3;2*2-4H,1H3;2-3H,1H3 |
| InChIKey | HMADZUVBSGPDSX-UHFFFAOYSA-N |
| XLogP | 18.23 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 97 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1268.59 |
| LogP ≤ 5 | 18.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |