N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline

C56H43NO — CID 170300934

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline (PubChem CID 170300934) has the molecular formula C56H43NO and a molecular weight of 745.97 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline
• PubChem CID: 170300934
• Molecular Formula: C56H43NO
• Molecular Weight: 745.97 g/mol
• Exact Mass: 745.33
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline
• SMILES: c1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2ccccc2-c2cccc3oc4ccccc4c23)c(-c2cccc3ccccc23)c1
• InChI: InChI=1S/C56H43NO/c1-2-18-39(19-3-1)42-29-15-22-40-23-16-31-47(55(40)42)45-26-7-11-34-51(45)57(50-33-10-6-25-44(50)43-30-14-21-38-20-4-5-24-41(38)43)52-35-12-8-27-46(52)48-32-17-37-54-56(48)49-28-9-13-36-53(49)58-54/h4-17,20-37,39H,1-3,18-19H2
• InChIKey: QNQZXKKAOGEAHA-UHFFFAOYSA-N
• XLogP: 16.41
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.97
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline (CID 170300934) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline is c1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2ccccc2-c2cccc3oc4ccccc4c23)c(-c2cccc3ccccc23)c1.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline?

The InChIKey is QNQZXKKAOGEAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NO/c1-2-18-39(19-3-1)42-29-15-22-40-23-16-31-47(55(40)42)45-26-7-11-34-51(45)57(50-33-10-6-25-44(50)43-30-14-21-38-20-4-5-24-41(38)43)52-35-12-8-27-46(52)48-32-17-37-54-56(48)49-28-9-13-36-53(49)58-54/h4-17,20-37,39H,1-3,18-19H2.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline has a molecular weight of 745.97 g/mol, XLogP of 16.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170300934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).