2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine

C56H35NO — CID 147083313

About 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine

2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine (PubChem CID 147083313) has the molecular formula C56H35NO and a molecular weight of 737.90 g/mol. Its IUPAC name is 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine.

Molecular Properties

• Compound Name: 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine
• PubChem CID: 147083313
• Molecular Formula: C56H35NO
• Molecular Weight: 737.90 g/mol
• Exact Mass: 737.27
• IUPAC Name: 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)cn3)c3ccccc23)cc1
• InChI: InChI=1S/C56H35NO/c1-2-14-38(15-3-1)54-42-17-4-6-19-44(42)55(45-20-7-5-18-43(45)54)51-33-31-40(35-57-51)37-28-26-36(27-29-37)39-30-32-48-46(34-39)41-16-8-9-21-47(41)56(48)49-22-10-12-24-52(49)58-53-25-13-11-23-50(53)56/h1-35H
• InChIKey: BHIVFSFIGPKEHH-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.90
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine?

The IUPAC name of 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine (CID 147083313) is 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine.

What is the SMILES notation for 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine?

The canonical SMILES for 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)cn3)c3ccccc23)cc1.

What is the InChIKey of 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine?

The InChIKey is BHIVFSFIGPKEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO/c1-2-14-38(15-3-1)54-42-17-4-6-19-44(42)55(45-20-7-5-18-43(45)54)51-33-31-40(35-57-51)37-28-26-36(27-29-37)39-30-32-48-46(34-39)41-16-8-9-21-47(41)56(48)49-22-10-12-24-52(49)58-53-25-13-11-23-50(53)56/h1-35H.

What are the key properties of 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine?

2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine has a molecular weight of 737.90 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine is sourced from PubChem (CID 147083313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).