2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran

C56H34O2 — CID 176744529

About 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran

2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran (PubChem CID 176744529) has the molecular formula C56H34O2 and a molecular weight of 738.89 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
• PubChem CID: 176744529
• Molecular Formula: C56H34O2
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.26
• IUPAC Name: 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
• SMILES: c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4oc(-c5ccc6ccccc6c5)c(-c5ccccc5)c4c4c3oc3ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C56H34O2/c1-3-18-36(19-4-1)40-23-9-10-24-41(40)51-42-25-11-13-27-44(42)52(45-28-14-12-26-43(45)51)47-34-49-54(53-46-29-15-16-30-48(46)57-56(47)53)50(37-20-5-2-6-21-37)55(58-49)39-32-31-35-17-7-8-22-38(35)33-39/h1-34H
• InChIKey: AARHQOZNQZVMFX-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.89
LogP ≤ 5	16.13
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-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

The IUPAC name of 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran (CID 176744529) is 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran.

What is the SMILES notation for 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

The canonical SMILES for 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4oc(-c5ccc6ccccc6c5)c(-c5ccccc5)c4c4c3oc3ccccc34)c3ccccc23)cc1.

What is the InChIKey of 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

The InChIKey is AARHQOZNQZVMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34O2/c1-3-18-36(19-4-1)40-23-9-10-24-41(40)51-42-25-11-13-27-44(42)52(45-28-14-12-26-43(45)51)47-34-49-54(53-46-29-15-16-30-48(46)57-56(47)53)50(37-20-5-2-6-21-37)55(58-49)39-32-31-35-17-7-8-22-38(35)33-39/h1-34H.

What are the key properties of 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran has a molecular weight of 738.89 g/mol, XLogP of 16.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran is sourced from PubChem (CID 176744529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).