4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine

C39H31N3 — CID 159473527

About 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine

4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine (PubChem CID 159473527) has the molecular formula C39H31N3 and a molecular weight of 541.70 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine.

Molecular Properties

• Compound Name: 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine
• PubChem CID: 159473527
• Molecular Formula: C39H31N3
• Molecular Weight: 541.70 g/mol
• Exact Mass: 541.25
• IUPAC Name: 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine
• SMILES: c1cncc(-c2cc(-c3ccncc3)nc(-c3cccc(-c4cccc5c4-c4ccccc4C54CCCCC4)c3)c2)c1
• InChI: InChI=1S/C39H31N3/c1-4-18-39(19-5-1)34-14-3-2-12-33(34)38-32(13-7-15-35(38)39)28-9-6-10-29(23-28)37-25-31(30-11-8-20-41-26-30)24-36(42-37)27-16-21-40-22-17-27/h2-3,6-17,20-26H,1,4-5,18-19H2
• InChIKey: JKLSTIGFABEKDX-UHFFFAOYSA-N
• XLogP: 9.77
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.70
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine?

The IUPAC name of 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine (CID 159473527) is 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine.

What is the SMILES notation for 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine?

The canonical SMILES for 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine is c1cncc(-c2cc(-c3ccncc3)nc(-c3cccc(-c4cccc5c4-c4ccccc4C54CCCCC4)c3)c2)c1.

What is the InChIKey of 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine?

The InChIKey is JKLSTIGFABEKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3/c1-4-18-39(19-5-1)34-14-3-2-12-33(34)38-32(13-7-15-35(38)39)28-9-6-10-29(23-28)37-25-31(30-11-8-20-41-26-30)24-36(42-37)27-16-21-40-22-17-27/h2-3,6-17,20-26H,1,4-5,18-19H2.

What are the key properties of 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine?

4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine has a molecular weight of 541.70 g/mol, XLogP of 9.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine is sourced from PubChem (CID 159473527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).