C360H234N18 — CID 159839509
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;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-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine (PubChem CID 159839509) has the molecular formula C360H234N18 and a molecular weight of 4811.96 g/mol. Its IUPAC name is 2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;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-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine.
| Compound Name | 2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;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-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine |
|---|---|
| PubChem CID | 159839509 |
| Molecular Formula | C360H234N18 |
| Molecular Weight | 4811.96 g/mol |
| Exact Mass | 4807.89 |
| IUPAC Name | 2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;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-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine |
| SMILES | c1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ncn3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)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(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)c2)cc1 |
| InChI | InChI=1S/2C52H34N2.C51H33N3.2C46H30N2.C45H29N3.2C34H22N2/c1-3-14-35(15-4-1)37-18-11-21-41(30-37)50-34-51(54-52(53-50)43-23-13-19-38(32-43)36-16-5-2-6-17-36)42-22-12-20-39(31-42)40-28-29-48-46-26-8-7-24-44(46)45-25-9-10-27-47(45)49(48)33-40;1-3-14-35(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;1-3-13-31(14-4-1)33-17-11-19-36(27-33)44-30-45(48-46(47-44)32-15-5-2-6-16-32)37-20-12-18-34(28-37)35-25-26-42-40-23-8-7-21-38(40)39-22-9-10-24-41(39)43(42)29-35;1-3-13-31(14-4-1)33-17-11-19-36(27-33)45-30-44(32-15-5-2-6-16-32)47-46(48-45)37-20-12-18-34(28-37)35-25-26-42-40-23-8-7-21-38(40)39-22-9-10-24-41(39)43(42)29-35;1-3-13-30(14-4-1)32-17-11-19-35(27-32)44-46-43(31-15-5-2-6-16-31)47-45(48-44)36-20-12-18-33(28-36)34-25-26-41-39-23-8-7-21-37(39)38-22-9-10-24-40(38)42(41)29-34;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/h2*1-34H;1-33H;2*1-30H;1-29H;2*1-22H |
| InChIKey | NOMRJPPJNNYFQJ-UHFFFAOYSA-N |
| XLogP | 95.29 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 378 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4811.96 |
| LogP ≤ 5 | 95.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |