C275H177N19 — CID 167580187
2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167580187) has the molecular formula C275H177N19 and a molecular weight of 3747.57 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 167580187 |
| Molecular Formula | C275H177N19 |
| Molecular Weight | 3747.57 g/mol |
| Exact Mass | 3744.44 |
| IUPAC Name | 2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccncc3)nc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)n2)cc1 |
| InChI | InChI=1S/C51H33N3.4C45H29N3.C44H28N4/c1-3-13-34(14-4-1)35-25-27-37(28-26-35)50-52-49(36-15-5-2-6-16-36)53-51(54-50)42-20-12-19-40(32-42)38-17-11-18-39(31-38)41-29-30-47-45-23-8-7-21-43(45)44-22-9-10-24-46(44)48(47)33-41;1-3-13-32(14-4-1)43-46-44(33-15-5-2-6-16-33)48-45(47-43)41-22-12-7-17-35(41)31-25-23-30(24-26-31)34-27-28-40-38-20-9-8-18-36(38)37-19-10-11-21-39(37)42(40)29-34;1-3-12-32(13-4-1)43-46-44(33-14-5-2-6-15-33)48-45(47-43)36-17-11-16-34(28-36)30-22-24-31(25-23-30)35-26-27-41-39-20-8-7-18-37(39)38-19-9-10-21-40(38)42(41)29-35;1-3-12-31(13-4-1)43-46-44(32-14-5-2-6-15-32)48-45(47-43)33-24-22-30(23-25-33)34-16-11-17-35(28-34)36-26-27-41-39-20-8-7-18-37(39)38-19-9-10-21-40(38)42(41)29-36;1-3-11-33(12-4-1)43-46-44(34-13-5-2-6-14-34)48-45(47-43)35-25-23-31(24-26-35)30-19-21-32(22-20-30)36-27-28-41-39-17-8-7-15-37(39)38-16-9-10-18-40(38)42(41)29-36;1-2-10-29(11-3-1)42-46-43(30-22-24-45-25-23-30)48-44(47-42)35-15-9-14-33(27-35)31-12-8-13-32(26-31)34-20-21-40-38-18-5-4-16-36(38)37-17-6-7-19-39(37)41(40)28-34/h1-33H;4*1-29H;1-28H |
| InChIKey | HBSRROVSYRWTAH-UHFFFAOYSA-N |
| XLogP | 71.06 |
| TPSA | 244.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 294 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3747.57 |
| LogP ≤ 5 | 71.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|