C272H176N16 — CID 162018745
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine (PubChem CID 162018745) has the molecular formula C272H176N16 and a molecular weight of 3668.51 g/mol. Its IUPAC name is 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine.
| Compound Name | 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 162018745 |
| Molecular Formula | C272H176N16 |
| Molecular Weight | 3668.51 g/mol |
| Exact Mass | 3665.43 |
| IUPAC Name | 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ncn3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3ccnc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3ncnc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1 |
| InChI | InChI=1S/C52H34N2.C51H33N3.4C34H22N2.C33H21N3/c1-3-14-35(15-4-1)37-18-11-21-41(30-37)50-34-51(42-22-12-19-38(31-42)36-16-5-2-6-17-36)54-52(53-50)43-23-13-20-39(32-43)40-28-29-48-46-26-8-7-24-44(46)45-25-9-10-27-47(45)49(48)33-40;1-3-14-34(15-4-1)36-18-11-21-40(30-36)49-52-50(41-22-12-19-37(31-41)35-16-5-2-6-17-35)54-51(53-49)42-23-13-20-38(32-42)39-28-29-47-45-26-8-7-24-43(45)44-25-9-10-27-46(44)48(47)33-39;1-3-11-23(12-4-1)32-22-33(36-34(35-32)24-13-5-2-6-14-24)25-19-20-30-28-17-8-7-15-26(28)27-16-9-10-18-29(27)31(30)21-25;1-3-11-23(12-4-1)32-22-33(24-13-5-2-6-14-24)36-34(35-32)25-19-20-30-28-17-8-7-15-26(28)27-16-9-10-18-29(27)31(30)21-25;1-2-9-23(10-3-1)24-11-8-12-25(19-24)33-21-34(36-22-35-33)26-17-18-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)32(31)20-26;1-2-9-23(10-3-1)24-11-8-12-25(21-24)33-19-20-35-34(36-33)26-17-18-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)32(31)22-26;1-2-9-22(10-3-1)23-11-8-12-24(19-23)32-34-21-35-33(36-32)25-17-18-30-28-15-5-4-13-26(28)27-14-6-7-16-29(27)31(30)20-25/h1-34H;1-33H;4*1-22H;1-21H |
| InChIKey | YULVDSGNLZUCQN-UHFFFAOYSA-N |
| XLogP | 71.35 |
| TPSA | 206.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 288 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3668.51 |
| LogP ≤ 5 | 71.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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