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

C56H34O2 — CID 176745941

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

2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran (PubChem CID 176745941) 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-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
• PubChem CID: 176745941
• Molecular Formula: C56H34O2
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.26
• IUPAC Name: 2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
• SMILES: c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5oc(-c6ccc7ccccc7c6)c(-c6ccccc6)c5c5c4oc4ccccc45)c4ccccc34)c2)cc1
• InChI: InChI=1S/C56H34O2/c1-3-16-35(17-4-1)39-22-15-23-40(32-39)50-42-24-9-11-26-44(42)52(45-27-12-10-25-43(45)50)47-34-49-54(53-46-28-13-14-29-48(46)57-56(47)53)51(37-19-5-2-6-20-37)55(58-49)41-31-30-36-18-7-8-21-38(36)33-41/h1-34H
• InChIKey: PDSCTBGYKHLNBU-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-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

The IUPAC name of 2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran (CID 176745941) is 2-naphthalen-2-yl-1-phenyl-5-[10-(3-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-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran?

The canonical SMILES for 2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5oc(-c6ccc7ccccc7c6)c(-c6ccccc6)c5c5c4oc4ccccc45)c4ccccc34)c2)cc1.

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

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

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

2-naphthalen-2-yl-1-phenyl-5-[10-(3-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-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran is sourced from PubChem (CID 176745941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).