C137H110N14 — CID 164976645
5-(3,5-diphenylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine (PubChem CID 164976645) has the molecular formula C137H110N14 and a molecular weight of 1952.48 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 5-(3,5-diphenylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 164976645 |
| Molecular Formula | C137H110N14 |
| Molecular Weight | 1952.48 g/mol |
| Exact Mass | 1950.90 |
| IUPAC Name | 5-(3,5-diphenylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine |
| SMILES | Cc1cc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.Cc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ncc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cn1 |
| InChI | InChI=1S/C28H21N3.C23H18N2.2C18H15N.2C17H14N2.C16H13N3/c1-20-29-27(25-16-8-14-23(18-25)21-10-4-2-5-11-21)31-28(30-20)26-17-9-15-24(19-26)22-12-6-3-7-13-22;1-17-24-15-23(16-25-17)22-13-20(18-8-4-2-5-9-18)12-21(14-22)19-10-6-3-7-11-19;1-14-12-17(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;1-13-18-16(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/h2-19H,1H3;2-16H,1H3;2*2-13H,1H3;2*2-12H,1H3;2-11H,1H3 |
| InChIKey | DWNZOGCADLMQLJ-UHFFFAOYSA-N |
| XLogP | 33.83 |
| TPSA | 180.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 151 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1952.48 |
| LogP ≤ 5 | 33.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |