2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran

C62H44O — CID 162785544

About 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran

2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran (PubChem CID 162785544) has the molecular formula C62H44O and a molecular weight of 805.03 g/mol. Its IUPAC name is 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran
• PubChem CID: 162785544
• Molecular Formula: C62H44O
• Molecular Weight: 805.03 g/mol
• Exact Mass: 804.34
• IUPAC Name: 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran
• SMILES: c1ccc(-c2ccc(C(c3ccccc3)c3ccc(-c4ccc5oc6ccc(-c7ccc(C(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1
• InChI: InChI=1S/C62H44O/c1-5-13-43(14-6-1)45-21-29-51(30-22-45)61(49-17-9-3-10-18-49)53-33-25-47(26-34-53)55-37-39-59-57(41-55)58-42-56(38-40-60(58)63-59)48-27-35-54(36-28-48)62(50-19-11-4-12-20-50)52-31-23-46(24-32-52)44-15-7-2-8-16-44/h1-42,61-62H
• InChIKey: VZRKZGCZTUXXHB-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.03
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran?

The IUPAC name of 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran (CID 162785544) is 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran.

What is the SMILES notation for 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran?

The canonical SMILES for 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran is c1ccc(-c2ccc(C(c3ccccc3)c3ccc(-c4ccc5oc6ccc(-c7ccc(C(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1.

What is the InChIKey of 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran?

The InChIKey is VZRKZGCZTUXXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44O/c1-5-13-43(14-6-1)45-21-29-51(30-22-45)61(49-17-9-3-10-18-49)53-33-25-47(26-34-53)55-37-39-59-57(41-55)58-42-56(38-40-60(58)63-59)48-27-35-54(36-28-48)62(50-19-11-4-12-20-50)52-31-23-46(24-32-52)44-15-7-2-8-16-44/h1-42,61-62H.

What are the key properties of 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran?

2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran has a molecular weight of 805.03 g/mol, XLogP of 16.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran is sourced from PubChem (CID 162785544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).