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

C48H30O — CID 58050626

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

4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 58050626) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
• PubChem CID: 58050626
• Molecular Formula: C48H30O
• Molecular Weight: 622.77 g/mol
• Exact Mass: 622.23
• IUPAC Name: 4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
• SMILES: c1ccc(-c2cccc3c2oc2ccccc23)c(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)c1
• InChI: InChI=1S/C48H30O/c1-2-13-34-30-35(29-26-31(34)12-1)32-24-27-33(28-25-32)46-39-17-5-7-19-41(39)47(42-20-8-6-18-40(42)46)38-16-4-3-14-36(38)43-21-11-22-44-37-15-9-10-23-45(37)49-48(43)44/h1-30H
• InChIKey: FVURAHGKGLVVSS-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.77
LogP ≤ 5	13.71
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 4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran?

The IUPAC name of 4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran (CID 58050626) is 4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran.

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

The canonical SMILES for 4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran is c1ccc(-c2cccc3c2oc2ccccc23)c(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)c1.

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

The InChIKey is FVURAHGKGLVVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-2-13-34-30-35(29-26-31(34)12-1)32-24-27-33(28-25-32)46-39-17-5-7-19-41(39)47(42-20-8-6-18-40(42)46)38-16-4-3-14-36(38)43-21-11-22-44-37-15-9-10-23-45(37)49-48(43)44/h1-30H.

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

4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 58050626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).