4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran

C53H36O — CID 59136882

About 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran

4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (PubChem CID 59136882) has the molecular formula C53H36O and a molecular weight of 688.87 g/mol. Its IUPAC name is 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
• PubChem CID: 59136882
• Molecular Formula: C53H36O
• Molecular Weight: 688.87 g/mol
• Exact Mass: 688.28
• IUPAC Name: 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
• SMILES: c1ccc(-c2ccc(-c3ccc(C(c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c4cccc5ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C53H36O/c1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-29-33-43(34-30-39)52(49-20-9-14-41-13-4-5-17-46(41)49)45-16-8-15-44(35-45)40-27-31-42(32-28-40)47-19-10-21-50-48-18-6-7-22-51(48)54-53(47)50/h1-35,52H
• InChIKey: SOMRJFMUOMYWBN-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.87
LogP ≤ 5	14.59
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 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?

The IUPAC name of 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (CID 59136882) is 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.

What is the SMILES notation for 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?

The canonical SMILES for 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is c1ccc(-c2ccc(-c3ccc(C(c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c4cccc5ccccc45)cc3)cc2)cc1.

What is the InChIKey of 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?

The InChIKey is SOMRJFMUOMYWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36O/c1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-29-33-43(34-30-39)52(49-20-9-14-41-13-4-5-17-46(41)49)45-16-8-15-44(35-45)40-27-31-42(32-28-40)47-19-10-21-50-48-18-6-7-22-51(48)54-53(47)50/h1-35,52H.

What are the key properties of 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?

4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran has a molecular weight of 688.87 g/mol, XLogP of 14.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 59136882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).