10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran

C52H32O — CID 146652374

About 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran

10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 146652374) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 146652374
• Molecular Formula: C52H32O
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.25
• IUPAC Name: 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)c3ccccc23)c(-c2cccc3ccccc23)c1
• InChI: InChI=1S/C52H32O/c1-3-15-38-34(12-1)14-11-23-40(38)41-17-5-6-18-42(41)51-45-21-9-7-19-43(45)50(44-20-8-10-22-46(44)51)36-26-24-33(25-27-36)37-29-30-48-47(32-37)52-39-16-4-2-13-35(39)28-31-49(52)53-48/h1-32H
• InChIKey: GOFHFBUFGIWTQB-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 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran (CID 146652374) is 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)c3ccccc23)c(-c2cccc3ccccc23)c1.

What is the InChIKey of 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

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

What are the key properties of 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran 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 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 146652374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).