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

C50H39NO — CID 170300874

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C50H39NO/c1-2-15-35(16-3-1)41-23-12-18-36-19-13-24-44(50(36)41)42-21-7-10-26-47(42)51(39-30-28-34-14-4-5-17-37(34)32-39)46-25-9-6-20-40(46)38-29-31-49-45(33-38)43-22-8-11-27-48(43)52-49/h4-14,17-33,35H,1-3,15-16H2
InChIKeyHONROUCKPMKPJR-UHFFFAOYSA-N
MW669.87 g/mol
LogP14.74
Rot. Bonds6

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine (PubChem CID 170300874) has the molecular formula C50H39NO and a molecular weight of 669.87 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine
PubChem CID170300874
Molecular FormulaC50H39NO
Molecular Weight669.87 g/mol
Exact Mass669.30
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C50H39NO/c1-2-15-35(16-3-1)41-23-12-18-36-19-13-24-44(50(36)41)42-21-7-10-26-47(42)51(39-30-28-34-14-4-5-17-37(34)32-39)46-25-9-6-20-40(46)38-29-31-49-45(33-38)43-22-8-11-27-48(43)52-49/h4-14,17-33,35H,1-3,15-16H2
InChIKeyHONROUCKPMKPJR-UHFFFAOYSA-N
XLogP14.74
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.87
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(3-phenanthren-1-ylphenyl)aniline
CID 170300878
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-phenanthren-1-ylphenyl)aniline
CID 170300881
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 170300560
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
CID 170295801
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 170300885
N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170295839
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 170296362
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170299037
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300578
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline
CID 170300987
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 170300936

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine (CID 170300874) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine?
The InChIKey is HONROUCKPMKPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NO/c1-2-15-35(16-3-1)41-23-12-18-36-19-13-24-44(50(36)41)42-21-7-10-26-47(42)51(39-30-28-34-14-4-5-17-37(34)32-39)46-25-9-6-20-40(46)38-29-31-49-45(33-38)43-22-8-11-27-48(43)52-49/h4-14,17-33,35H,1-3,15-16H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine has a molecular weight of 669.87 g/mol, XLogP of 14.74, 6 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-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170300874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).