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

C50H39NO — CID 170301128

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3oc4ccccc4c23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C50H39NO/c1-2-16-35(17-3-1)38-26-13-20-36-21-14-28-42(49(36)38)41-24-7-10-30-45(41)51(46-31-15-33-48-50(46)43-25-8-11-32-47(43)52-48)44-29-9-6-23-40(44)39-27-12-19-34-18-4-5-22-37(34)39/h4-15,18-33,35H,1-3,16-17H2
InChIKeyLTLGYDHKZBQZCZ-UHFFFAOYSA-N
MW669.87 g/mol
LogP14.74
Rot. Bonds6

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 170301128) 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-naphthalen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
PubChem CID170301128
Molecular FormulaC50H39NO
Molecular Weight669.87 g/mol
Exact Mass669.30
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3oc4ccccc4c23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C50H39NO/c1-2-16-35(17-3-1)38-26-13-20-36-21-14-28-42(49(36)38)41-24-7-10-30-45(41)51(46-31-15-33-48-50(46)43-25-8-11-32-47(43)52-48)44-29-9-6-23-40(44)39-27-12-19-34-18-4-5-22-37(34)39/h4-15,18-33,35H,1-3,16-17H2
InChIKeyLTLGYDHKZBQZCZ-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-1-yl-N-(2-naphthalen-1-ylphenyl)aniline
CID 170300934
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170303000
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]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 170300936
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]dibenzofuran-1-amine
CID 170302843
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170300908
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 170300855
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]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
CID 170296019
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 170303604
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 170300885
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine
CID 170300874

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine (CID 170301128) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine is c1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3oc4ccccc4c23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is LTLGYDHKZBQZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NO/c1-2-16-35(17-3-1)38-26-13-20-36-21-14-28-42(49(36)38)41-24-7-10-30-45(41)51(46-31-15-33-48-50(46)43-25-8-11-32-47(43)52-48)44-29-9-6-23-40(44)39-27-12-19-34-18-4-5-22-37(34)39/h4-15,18-33,35H,1-3,16-17H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-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-naphthalen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 170301128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).