2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran

C34H20O2 — CID 176743230

About 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran

2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176743230) has the molecular formula C34H20O2 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

• Compound Name: 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
• PubChem CID: 176743230
• Molecular Formula: C34H20O2
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.15
• IUPAC Name: 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3cc4ccc5oc6ccccc6c5c4o3)c3ccccc23)cc1
• InChI: InChI=1S/C34H20O2/c1-2-10-21(11-3-1)31-23-12-4-6-14-25(23)32(26-15-7-5-13-24(26)31)30-20-22-18-19-29-33(34(22)36-30)27-16-8-9-17-28(27)35-29/h1-20H
• InChIKey: UILMPTLNIXEQOW-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	9.97
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-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?

The IUPAC name of 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (CID 176743230) is 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.

What is the SMILES notation for 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?

The canonical SMILES for 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3cc4ccc5oc6ccccc6c5c4o3)c3ccccc23)cc1.

What is the InChIKey of 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?

The InChIKey is UILMPTLNIXEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20O2/c1-2-10-21(11-3-1)31-23-12-4-6-14-25(23)32(26-15-7-5-13-24(26)31)30-20-22-18-19-29-33(34(22)36-30)27-16-8-9-17-28(27)35-29/h1-20H.

What are the key properties of 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?

2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran has a molecular weight of 460.53 g/mol, XLogP of 9.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176743230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).