C228H156N12 — CID 157180464
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 157180464) has the molecular formula C228H156N12 and a molecular weight of 3063.84 g/mol. Its IUPAC name is 2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 157180464 |
| Molecular Formula | C228H156N12 |
| Molecular Weight | 3063.84 g/mol |
| Exact Mass | 3061.26 |
| IUPAC Name | 2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)n4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccc(-c4ccccc4-c4ccccc4)c3)nc(-c3ccccc3-c3cccc(-c4ccccc4-c4ccccc4)c3)n2)cc1 |
| InChI | InChI=1S/4C57H39N3/c1-4-18-40(19-5-1)43-24-14-26-45(36-43)47-28-16-30-49(38-47)51-32-10-12-34-53(51)56-58-55(42-22-8-3-9-23-42)59-57(60-56)54-35-13-11-33-52(54)50-31-17-29-48(39-50)46-27-15-25-44(37-46)41-20-6-2-7-21-41;1-4-20-40(21-5-1)47-30-10-12-32-49(47)43-26-18-28-45(38-43)51-34-14-16-36-53(51)56-58-55(42-24-8-3-9-25-42)59-57(60-56)54-37-17-15-35-52(54)46-29-19-27-44(39-46)50-33-13-11-31-48(50)41-22-6-2-7-23-41;1-4-16-40(17-5-1)47-22-14-24-49(38-47)42-30-34-44(35-31-42)51-26-10-12-28-53(51)56-58-55(46-20-8-3-9-21-46)59-57(60-56)54-29-13-11-27-52(54)45-36-32-43(33-37-45)50-25-15-23-48(39-50)41-18-6-2-7-19-41;1-4-16-40(17-5-1)42-30-34-44(35-31-42)47-22-14-24-49(38-47)51-26-10-12-28-53(51)56-58-55(46-20-8-3-9-21-46)59-57(60-56)54-29-13-11-27-52(54)50-25-15-23-48(39-50)45-36-32-43(33-37-45)41-18-6-2-7-19-41/h4*1-39H |
| InChIKey | AOMYSEPRBCGUMZ-UHFFFAOYSA-N |
| XLogP | 59.50 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3063.84 |
| LogP ≤ 5 | 59.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |