C166H106N8 — CID 167563167
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 167563167) has the molecular formula C166H106N8 and a molecular weight of 2212.73 g/mol. Its IUPAC name is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine.
| Compound Name | 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine |
|---|---|
| PubChem CID | 167563167 |
| Molecular Formula | C166H106N8 |
| Molecular Weight | 2212.73 g/mol |
| Exact Mass | 2210.85 |
| IUPAC Name | 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine |
| SMILES | c1cc(-c2ccc(-c3ccncc3)cc2)nc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c1.c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)n3)cc2)nc1.c1cncc(-c2ccc(-c3ccnc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)n3)cc2)c1 |
| InChI | InChI=1S/C56H36N2.2C55H35N3/c1-3-10-44-34-47(26-20-37(44)8-1)55-49-12-5-6-13-50(49)56(48-27-21-38-9-2-4-11-45(38)35-48)52-36-46(28-29-51(52)55)40-18-24-43(25-19-40)54-15-7-14-53(58-54)42-22-16-39(17-23-42)41-30-32-57-33-31-41;1-3-11-42-33-45(26-18-36(42)9-1)53-47-13-5-6-14-48(47)54(46-27-19-37-10-2-4-12-43(37)34-46)50-35-44(28-29-49(50)53)38-16-24-41(25-17-38)55-57-32-30-52(58-55)40-22-20-39(21-23-40)51-15-7-8-31-56-51;1-3-10-42-32-45(25-19-36(42)8-1)53-48-13-5-6-14-49(48)54(46-26-20-37-9-2-4-11-43(37)33-46)51-34-44(27-28-50(51)53)38-17-23-41(24-18-38)55-57-31-29-52(58-55)40-21-15-39(16-22-40)47-12-7-30-56-35-47/h1-36H;2*1-35H |
| InChIKey | DXUJTLUNQOIVOU-UHFFFAOYSA-N |
| XLogP | 44.06 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 174 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2212.73 |
| LogP ≤ 5 | 44.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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