2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran

C62H40O — CID 58340427

About 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran

2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran (PubChem CID 58340427) has the molecular formula C62H40O and a molecular weight of 801.00 g/mol. Its IUPAC name is 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran.

Molecular Properties

• Compound Name: 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran
• PubChem CID: 58340427
• Molecular Formula: C62H40O
• Molecular Weight: 801.00 g/mol
• Exact Mass: 800.31
• IUPAC Name: 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran
• SMILES: c1ccc(-c2ccc(-c3c(-c4ccccc4)oc4c(-c5ccccc5)c(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)c5ccccc5c34)cc2)cc1
• InChI: InChI=1S/C62H40O/c1-5-20-41(21-6-1)42-36-38-45(39-37-42)59-60-54-35-18-17-34-53(54)57(58(44-24-9-3-10-25-44)62(60)63-61(59)46-26-11-4-12-27-46)48-29-19-28-47(40-48)56-51-32-15-13-30-49(51)55(43-22-7-2-8-23-43)50-31-14-16-33-52(50)56/h1-40H
• InChIKey: HRNIRRMZNRNJGX-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.00
LogP ≤ 5	17.56
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 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran?

The IUPAC name of 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran (CID 58340427) is 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran.

What is the SMILES notation for 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran?

The canonical SMILES for 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran is c1ccc(-c2ccc(-c3c(-c4ccccc4)oc4c(-c5ccccc5)c(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)c5ccccc5c34)cc2)cc1.

What is the InChIKey of 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran?

The InChIKey is HRNIRRMZNRNJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40O/c1-5-20-41(21-6-1)42-36-38-45(39-37-42)59-60-54-35-18-17-34-53(54)57(58(44-24-9-3-10-25-44)62(60)63-61(59)46-26-11-4-12-27-46)48-29-19-28-47(40-48)56-51-32-15-13-30-49(51)55(43-22-7-2-8-23-43)50-31-14-16-33-52(50)56/h1-40H.

What are the key properties of 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran?

2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran has a molecular weight of 801.00 g/mol, XLogP of 17.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran is sourced from PubChem (CID 58340427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).