2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran

C46H28O2 — CID 176743927

About 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran

2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176743927) has the molecular formula C46H28O2 and a molecular weight of 612.73 g/mol. Its IUPAC name is 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

• Compound Name: 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
• PubChem CID: 176743927
• Molecular Formula: C46H28O2
• Molecular Weight: 612.73 g/mol
• Exact Mass: 612.21
• IUPAC Name: 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4c(-c5ccccc5)oc5c4ccc4oc6ccccc6c45)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C46H28O2/c1-3-13-29(14-4-1)30-23-25-31(26-24-30)41-33-17-7-9-19-35(33)42(36-20-10-8-18-34(36)41)44-38-27-28-40-43(37-21-11-12-22-39(37)47-40)46(38)48-45(44)32-15-5-2-6-16-32/h1-28H
• InChIKey: BVHXQEHVTLGRAG-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.73
LogP ≤ 5	13.31
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-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?

The IUPAC name of 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (CID 176743927) is 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.

What is the SMILES notation for 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?

The canonical SMILES for 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4c(-c5ccccc5)oc5c4ccc4oc6ccccc6c45)c4ccccc34)cc2)cc1.

What is the InChIKey of 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?

The InChIKey is BVHXQEHVTLGRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O2/c1-3-13-29(14-4-1)30-23-25-31(26-24-30)41-33-17-7-9-19-35(33)42(36-20-10-8-18-34(36)41)44-38-27-28-40-43(37-21-11-12-22-39(37)47-40)46(38)48-45(44)32-15-5-2-6-16-32/h1-28H.

What are the key properties of 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?

2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran has a molecular weight of 612.73 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176743927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).