C178H114N14 — CID 167542962
2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-dipyridin-4-yl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167542962) has the molecular formula C178H114N14 and a molecular weight of 2448.97 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-dipyridin-4-yl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-dipyridin-4-yl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 167542962 |
| Molecular Formula | C178H114N14 |
| Molecular Weight | 2448.97 g/mol |
| Exact Mass | 2446.94 |
| IUPAC Name | 2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-dipyridin-4-yl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccccc2-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)c(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1 |
| InChI | InChI=1S/C51H33N3.C45H29N3.C43H27N5.C39H25N3/c1-3-14-34(15-4-1)49-52-50(35-16-5-2-6-17-35)54-51(53-49)42-23-13-22-40(32-42)38-20-11-18-36(30-38)37-19-12-21-39(31-37)41-28-29-47-45-26-8-7-24-43(45)44-25-9-10-27-46(44)48(47)33-41;1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)41-26-14-13-24-38(41)34-20-8-7-19-33(34)32-27-28-40-37-23-10-9-21-35(37)36-22-11-12-25-39(36)42(40)29-32;1-2-10-32(31(9-1)30-17-18-38-35-13-4-3-11-33(35)34-12-5-6-15-37(34)40(38)27-30)36-14-7-8-16-39(36)43-47-41(28-19-23-44-24-20-28)46-42(48-43)29-21-25-45-26-22-29;1-2-12-26(13-3-1)38-40-25-41-39(42-38)36-21-11-10-19-33(36)29-15-5-4-14-28(29)27-22-23-35-32-18-7-6-16-30(32)31-17-8-9-20-34(31)37(35)24-27/h1-33H;1-29H;1-27H;1-25H |
| InChIKey | BKVNJIHOVLGEIP-UHFFFAOYSA-N |
| XLogP | 45.45 |
| TPSA | 180.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 192 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2448.97 |
| LogP ≤ 5 | 45.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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