C164H110N10 — CID 165013839
2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 165013839) has the molecular formula C164H110N10 and a molecular weight of 2220.75 g/mol. Its IUPAC name is 2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine.
| Compound Name | 2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine |
|---|---|
| PubChem CID | 165013839 |
| Molecular Formula | C164H110N10 |
| Molecular Weight | 2220.75 g/mol |
| Exact Mass | 2218.89 |
| IUPAC Name | 2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)cc5c4)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)cc5c4)cc3)n2)cc1 |
| InChI | InChI=1S/C56H38N2.2C54H36N4/c1-5-13-39(14-6-1)51-35-53(44-17-9-3-10-18-44)57-55(37-51)46-27-21-41(22-28-46)48-31-25-43-26-32-49(34-50(43)33-48)42-23-29-47(30-24-42)56-38-52(40-15-7-2-8-16-40)36-54(58-56)45-19-11-4-12-20-45;1-5-13-40(14-6-1)49-35-51(57-53(55-49)44-17-9-3-10-18-44)42-27-21-37(22-28-42)46-31-25-39-26-32-47(34-48(39)33-46)38-23-29-43(30-24-38)52-36-50(41-15-7-2-8-16-41)56-54(58-52)45-19-11-4-12-20-45;1-5-13-40(14-6-1)49-35-50(41-15-7-2-8-16-41)56-53(55-49)44-27-21-37(22-28-44)46-31-25-39-26-32-47(34-48(39)33-46)38-23-29-45(30-24-38)54-57-51(42-17-9-3-10-18-42)36-52(58-54)43-19-11-4-12-20-43/h1-38H;2*1-36H |
| InChIKey | KCJKWDXFMIEYRP-UHFFFAOYSA-N |
| XLogP | 42.48 |
| TPSA | 128.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 174 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2220.75 |
| LogP ≤ 5 | 42.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |