C150H108N12 — CID 162132064
2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 162132064) has the molecular formula C150H108N12 and a molecular weight of 2078.60 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 162132064 |
| Molecular Formula | C150H108N12 |
| Molecular Weight | 2078.60 g/mol |
| Exact Mass | 2076.88 |
| IUPAC Name | 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc4ccccc34)c2)cc1 |
| InChI | InChI=1S/C40H29N3.2C38H27N3.C34H25N3/c1-28-17-19-31(20-18-28)35-25-36(32-23-21-30(22-24-32)29-11-5-2-6-12-29)27-37(26-35)40-42-38(33-13-7-3-8-14-33)41-39(43-40)34-15-9-4-10-16-34;1-26-19-21-27(22-20-26)31-23-32(35-18-10-16-28-11-8-9-17-34(28)35)25-33(24-31)38-40-36(29-12-4-2-5-13-29)39-37(41-38)30-14-6-3-7-15-30;1-26-16-18-28(19-17-26)33-23-34(32-21-20-27-10-8-9-15-31(27)22-32)25-35(24-33)38-40-36(29-11-4-2-5-12-29)39-37(41-38)30-13-6-3-7-14-30;1-24-17-19-26(20-18-24)30-21-29(25-11-5-2-6-12-25)22-31(23-30)34-36-32(27-13-7-3-8-14-27)35-33(37-34)28-15-9-4-10-16-28/h2-27H,1H3;2*2-25H,1H3;2-23H,1H3 |
| InChIKey | ZIUDWEGEOHBFNT-UHFFFAOYSA-N |
| XLogP | 38.03 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2078.60 |
| LogP ≤ 5 | 38.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |