2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline

C56H43NO — CID 170300908

About 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline

2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 170300908) has the molecular formula C56H43NO and a molecular weight of 745.97 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
• PubChem CID: 170300908
• Molecular Formula: C56H43NO
• Molecular Weight: 745.97 g/mol
• Exact Mass: 745.33
• IUPAC Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
• SMILES: c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1
• InChI: InChI=1S/C56H43NO/c1-2-15-39(16-3-1)47-27-12-19-41-20-13-29-50(55(41)47)49-24-6-8-30-52(49)57(43-35-33-40(34-36-43)46-26-11-18-38-17-4-5-23-45(38)46)44-22-10-21-42(37-44)48-28-14-32-54-56(48)51-25-7-9-31-53(51)58-54/h4-14,17-37,39H,1-3,15-16H2
• InChIKey: HWJOEBZYJVDHMM-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 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 170300908) is 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.

What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1.

What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?

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

What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?

2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-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 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170300908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).