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

C59H40O — CID 59136822

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

4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (PubChem CID 59136822) has the molecular formula C59H40O and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
• PubChem CID: 59136822
• Molecular Formula: C59H40O
• Molecular Weight: 764.97 g/mol
• Exact Mass: 764.31
• IUPAC Name: 4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
• SMILES: c1ccc(-c2ccc(-c3ccc(C(c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C59H40O/c1-3-13-40(14-4-1)41-25-27-42(28-26-41)43-31-35-47(36-32-43)58(55-38-37-50(45-15-5-2-6-16-45)52-19-7-8-20-53(52)55)49-18-11-17-48(39-49)44-29-33-46(34-30-44)51-22-12-23-56-54-21-9-10-24-57(54)60-59(51)56/h1-39,58H
• InChIKey: DHYJMWIRXNXOML-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.97
LogP ≤ 5	16.25
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-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?

The IUPAC name of 4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (CID 59136822) is 4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.

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

The canonical SMILES for 4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is c1ccc(-c2ccc(-c3ccc(C(c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc2)cc1.

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

The InChIKey is DHYJMWIRXNXOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40O/c1-3-13-40(14-4-1)41-25-27-42(28-26-41)43-31-35-47(36-32-43)58(55-38-37-50(45-15-5-2-6-16-45)52-19-7-8-20-53(52)55)49-18-11-17-48(39-49)44-29-33-46(34-30-44)51-22-12-23-56-54-21-9-10-24-57(54)60-59(51)56/h1-39,58H.

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

4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran has a molecular weight of 764.97 g/mol, XLogP of 16.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 59136822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).