2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran

C52H32O — CID 162491047

About 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran

2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (PubChem CID 162491047) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
• PubChem CID: 162491047
• Molecular Formula: C52H32O
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.25
• IUPAC Name: 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
• SMILES: c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cc(-c6ccc7oc8ccccc8c7c6)cc6ccccc56)c5ccccc45)cc3)cccc2c1
• InChI: InChI=1S/C52H32O/c1-3-15-39-33(12-1)14-11-22-40(39)34-24-26-35(27-25-34)51-43-18-5-7-20-45(43)52(46-21-8-6-19-44(46)51)48-32-38(30-37-13-2-4-16-41(37)48)36-28-29-50-47(31-36)42-17-9-10-23-49(42)53-50/h1-32H
• InChIKey: LGIIAYLOUPZDSF-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	14.87
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-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

The IUPAC name of 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (CID 162491047) is 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

What is the SMILES notation for 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

The canonical SMILES for 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran is c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cc(-c6ccc7oc8ccccc8c7c6)cc6ccccc56)c5ccccc45)cc3)cccc2c1.

What is the InChIKey of 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

The InChIKey is LGIIAYLOUPZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-3-15-39-33(12-1)14-11-22-40(39)34-24-26-35(27-25-34)51-43-18-5-7-20-45(43)52(46-21-8-6-19-44(46)51)48-32-38(30-37-13-2-4-16-41(37)48)36-28-29-50-47(31-36)42-17-9-10-23-49(42)53-50/h1-32H.

What are the key properties of 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran has a molecular weight of 672.83 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 162491047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).