N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine

C50H45NO — CID 170295839

About N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine

N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine (PubChem CID 170295839) has the molecular formula C50H45NO and a molecular weight of 675.92 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
• PubChem CID: 170295839
• Molecular Formula: C50H45NO
• Molecular Weight: 675.92 g/mol
• Exact Mass: 675.35
• IUPAC Name: N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
• SMILES: CC(C)(C)c1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
• InChI: InChI=1S/C50H45NO/c1-50(2,3)37-29-27-35(28-30-37)39-19-7-10-24-45(39)51(38-31-32-48-44(33-38)42-21-9-12-26-47(42)52-48)46-25-11-8-20-41(46)43-23-14-18-36-17-13-22-40(49(36)43)34-15-5-4-6-16-34/h7-14,17-34H,4-6,15-16H2,1-3H3
• InChIKey: RVZMURVWTOAUHM-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.92
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine?

The IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine (CID 170295839) is N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine.

What is the SMILES notation for N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine?

The canonical SMILES for N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine is CC(C)(C)c1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1.

What is the InChIKey of N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine?

The InChIKey is RVZMURVWTOAUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45NO/c1-50(2,3)37-29-27-35(28-30-37)39-19-7-10-24-45(39)51(38-31-32-48-44(33-38)42-21-9-12-26-47(42)52-48)46-25-11-8-20-41(46)43-23-14-18-36-17-13-22-40(49(36)43)34-15-5-4-6-16-34/h7-14,17-34H,4-6,15-16H2,1-3H3.

What are the key properties of N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine?

N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 675.92 g/mol, XLogP of 14.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 170295839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).