C162H108N12 — CID 165089367
2-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165089367) has the molecular formula C162H108N12 and a molecular weight of 2222.73 g/mol. Its IUPAC name is 2-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 165089367 |
| Molecular Formula | C162H108N12 |
| Molecular Weight | 2222.73 g/mol |
| Exact Mass | 2220.88 |
| IUPAC Name | 2-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5c4)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)cc3)cc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/3C54H36N4/c1-5-15-40(16-6-1)50-35-45(36-51(55-50)41-17-7-2-8-18-41)37-27-29-38(30-28-37)46-23-13-26-49-47(24-14-25-48(46)49)39-31-33-44(34-32-39)54-57-52(42-19-9-3-10-20-42)56-53(58-54)43-21-11-4-12-22-43;1-5-15-40(16-6-1)50-35-45(36-51(55-50)41-17-7-2-8-18-41)37-25-27-38(28-26-37)46-33-34-47(49-24-14-13-23-48(46)49)39-29-31-44(32-30-39)54-57-52(42-19-9-3-10-20-42)56-53(58-54)43-21-11-4-12-22-43;1-5-13-40(14-6-1)50-35-49(36-51(55-50)41-15-7-2-8-16-41)39-23-21-37(22-24-39)45-29-31-48-34-46(30-32-47(48)33-45)38-25-27-44(28-26-38)54-57-52(42-17-9-3-10-18-42)56-53(58-54)43-19-11-4-12-20-43/h3*1-36H |
| InChIKey | WLCSXEWGKZVEKD-UHFFFAOYSA-N |
| XLogP | 41.27 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 174 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2222.73 |
| LogP ≤ 5 | 41.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |