N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline

C62H47NO — CID 170296362

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline (PubChem CID 170296362) has the molecular formula C62H47NO and a molecular weight of 822.06 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
• PubChem CID: 170296362
• Molecular Formula: C62H47NO
• Molecular Weight: 822.06 g/mol
• Exact Mass: 821.37
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
• SMILES: c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
• InChI: InChI=1S/C62H47NO/c1-3-17-43(18-4-1)52-37-35-48(51-30-14-22-42-21-7-8-27-50(42)51)41-59(52)63(49-26-13-25-46(39-49)47-36-38-61-57(40-47)55-29-10-12-34-60(55)64-61)58-33-11-9-28-54(58)56-32-16-24-45-23-15-31-53(62(45)56)44-19-5-2-6-20-44/h1,3-4,7-18,21-41,44H,2,5-6,19-20H2
• InChIKey: YKQCYHOFZWQQEY-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.06
LogP ≤ 5	18.08
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]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline (CID 170296362) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?

The InChIKey is YKQCYHOFZWQQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47NO/c1-3-17-43(18-4-1)52-37-35-48(51-30-14-22-42-21-7-8-27-50(42)51)41-59(52)63(49-26-13-25-46(39-49)47-36-38-61-57(40-47)55-29-10-12-34-60(55)64-61)58-33-11-9-28-54(58)56-32-16-24-45-23-15-31-53(62(45)56)44-19-5-2-6-20-44/h1,3-4,7-18,21-41,44H,2,5-6,19-20H2.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline has a molecular weight of 822.06 g/mol, XLogP of 18.08, 8 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]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline is sourced from PubChem (CID 170296362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).