About 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine (PubChem CID 88908907) has the molecular formula C36H24N2
and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine.
Molecular Properties
| Compound Name | 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine |
| PubChem CID | 88908907 |
| Molecular Formula | C36H24N2 |
| Molecular Weight | 484.60 g/mol |
| Exact Mass | 484.19 |
| IUPAC Name | 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine |
| SMILES | c1ccc(-c2cc(-c3c4ccccc4c(-c4ccnc(-c5ccccc5)c4)c4ccccc34)ccn2)cc1 |
| InChI | InChI=1S/C36H24N2/c1-3-11-25(12-4-1)33-23-27(19-21-37-33)35-29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)28-20-22-38-34(24-28)26-13-5-2-6-14-26/h1-24H |
| InChIKey | YXIOZYNWVKNCBG-UHFFFAOYSA-N |
| XLogP | 9.45 |
| TPSA | 25.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 38 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 484.60 |
| LogP ≤ 5 | 9.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine?
The IUPAC name of 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine (CID 88908907) is 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine.
What is the SMILES notation for 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine?
The canonical SMILES for 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccnc(-c5ccccc5)c4)c4ccccc34)ccn2)cc1.
What is the InChIKey of 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine?
The InChIKey is YXIOZYNWVKNCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-11-25(12-4-1)33-23-27(19-21-37-33)35-29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)28-20-22-38-34(24-28)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine?
2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine has a molecular weight of 484.60 g/mol, XLogP of 9.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine is sourced from PubChem (CID 88908907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).