C177H143N17 — CID 158735662
2,4-bis(3,5-diphenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine;9-(4-carbazol-9-yl-6-methyl-1,3,5-triazin-2-yl)carbazole;methane;2-(4-methylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 158735662) has the molecular formula C177H143N17 and a molecular weight of 2508.21 g/mol. Its IUPAC name is 2,4-bis(3,5-diphenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine;9-(4-carbazol-9-yl-6-methyl-1,3,5-triazin-2-yl)carbazole;methane;2-(4-methylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
| Compound Name | 2,4-bis(3,5-diphenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine;9-(4-carbazol-9-yl-6-methyl-1,3,5-triazin-2-yl)carbazole;methane;2-(4-methylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 158735662 |
| Molecular Formula | C177H143N17 |
| Molecular Weight | 2508.21 g/mol |
| Exact Mass | 2506.17 |
| IUPAC Name | 2,4-bis(3,5-diphenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine;9-(4-carbazol-9-yl-6-methyl-1,3,5-triazin-2-yl)carbazole;methane;2-(4-methylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine |
| SMILES | C.C.C.C.C.Cc1ccc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.Cc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.Cc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.Cc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1 |
| InChI | InChI=1S/C46H33N3.2C34H25N3.C30H21N3.C28H19N5.5CH4/c1-32-22-24-37(25-23-32)44-47-45(42-28-38(33-14-6-2-7-15-33)26-39(29-42)34-16-8-3-9-17-34)49-46(48-44)43-30-40(35-18-10-4-11-19-35)27-41(31-43)36-20-12-5-13-21-36;1-24-18-20-27(21-19-24)32-35-33(30-16-8-14-28(22-30)25-10-4-2-5-11-25)37-34(36-32)31-17-9-15-29(23-31)26-12-6-3-7-13-26;1-24-12-14-29(15-13-24)32-35-33(30-20-16-27(17-21-30)25-8-4-2-5-9-25)37-34(36-32)31-22-18-28(19-23-31)26-10-6-3-7-11-26;1-20-10-12-23(13-11-20)28-31-29(26-16-14-21-6-2-4-8-24(21)18-26)33-30(32-28)27-17-15-22-7-3-5-9-25(22)19-27;1-18-29-27(32-23-14-6-2-10-19(23)20-11-3-7-15-24(20)32)31-28(30-18)33-25-16-8-4-12-21(25)22-13-5-9-17-26(22)33;;;;;/h2-31H,1H3;2*2-23H,1H3;2-19H,1H3;2-17H,1H3;5*1H4 |
| InChIKey | ILQMQCHFTPIKFP-UHFFFAOYSA-N |
| XLogP | 45.92 |
| TPSA | 203.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 194 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2508.21 |
| LogP ≤ 5 | 45.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |