2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine

C50H31N — CID 153357708

About 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine

2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine (PubChem CID 153357708) has the molecular formula C50H31N and a molecular weight of 645.81 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine
• PubChem CID: 153357708
• Molecular Formula: C50H31N
• Molecular Weight: 645.81 g/mol
• Exact Mass: 645.25
• IUPAC Name: 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5cccc6ccc7cccc4c7c56)c3)c2)cc1
• InChI: InChI=1S/C50H31N/c1-3-12-32(13-4-1)39-30-46(33-14-5-2-6-15-33)51-47(31-39)38-19-9-18-36(28-38)37-26-27-43-41(29-37)40-20-7-8-21-42(40)50(43)44-22-10-16-34-24-25-35-17-11-23-45(50)49(35)48(34)44/h1-31H
• InChIKey: KFJBRBICPUXNAA-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.81
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine?

The IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine (CID 153357708) is 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine.

What is the SMILES notation for 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine?

The canonical SMILES for 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5cccc6ccc7cccc4c7c56)c3)c2)cc1.

What is the InChIKey of 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine?

The InChIKey is KFJBRBICPUXNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N/c1-3-12-32(13-4-1)39-30-46(33-14-5-2-6-15-33)51-47(31-39)38-19-9-18-36(28-38)37-26-27-43-41(29-37)40-20-7-8-21-42(40)50(43)44-22-10-16-34-24-25-35-17-11-23-45(50)49(35)48(34)44/h1-31H.

What are the key properties of 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine?

2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine has a molecular weight of 645.81 g/mol, XLogP of 12.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine is sourced from PubChem (CID 153357708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).