2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine

C56H35N — CID 153288517

About 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine

2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine (PubChem CID 153288517) has the molecular formula C56H35N and a molecular weight of 721.90 g/mol. Its IUPAC name is 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine.

Molecular Properties

• Compound Name: 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
• PubChem CID: 153288517
• Molecular Formula: C56H35N
• Molecular Weight: 721.90 g/mol
• Exact Mass: 721.28
• IUPAC Name: 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cn4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C56H35N/c1-2-14-36(15-3-1)37-26-28-38(29-27-37)54-45-19-4-6-21-47(45)55(48-22-7-5-20-46(48)54)53-33-31-40(35-57-53)39-30-32-44-43-18-10-13-25-51(43)56(52(44)34-39)49-23-11-8-16-41(49)42-17-9-12-24-50(42)56/h1-35H
• InChIKey: HGKXYHDRRVOBPO-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.90
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine?

The IUPAC name of 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine (CID 153288517) is 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine.

What is the SMILES notation for 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine?

The canonical SMILES for 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cn4)c4ccccc34)cc2)cc1.

What is the InChIKey of 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine?

The InChIKey is HGKXYHDRRVOBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N/c1-2-14-36(15-3-1)37-26-28-38(29-27-37)54-45-19-4-6-21-47(45)55(48-22-7-5-20-46(48)54)53-33-31-40(35-57-53)39-30-32-44-43-18-10-13-25-51(43)56(52(44)34-39)49-23-11-8-16-41(49)42-17-9-12-24-50(42)56/h1-35H.

What are the key properties of 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine?

2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine has a molecular weight of 721.90 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine is sourced from PubChem (CID 153288517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).