8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran

C52H32O — CID 174293136

About 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran

8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran (PubChem CID 174293136) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 174293136
• Molecular Formula: C52H32O
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.25
• IUPAC Name: 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
• SMILES: c1cc(-c2ccccc2-c2ccc3oc4c5ccccc5ccc4c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
• InChI: InChI=1S/C52H32O/c1-3-18-38-33(13-1)15-12-26-42(38)51-45-24-9-7-22-43(45)50(44-23-8-10-25-46(44)51)37-17-11-16-35(31-37)39-19-5-6-20-40(39)36-28-30-49-48(32-36)47-29-27-34-14-2-4-21-41(34)52(47)53-49/h1-32H
• InChIKey: DOLSTZFHXXMFAU-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 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran (CID 174293136) is 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran is c1cc(-c2ccccc2-c2ccc3oc4c5ccccc5ccc4c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.

What is the InChIKey of 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran?

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

What are the key properties of 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran?

8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-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 8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 174293136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).