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

C48H39N — CID 170303000

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C48H39N/c1-2-16-36(17-3-1)40-28-13-22-37-23-14-30-44(48(37)40)43-27-9-11-32-47(43)49(45-33-15-21-35-19-5-7-25-39(35)45)46-31-10-8-26-42(46)41-29-12-20-34-18-4-6-24-38(34)41/h4-15,18-33,36H,1-3,16-17H2
InChIKeyDZEVKSBBVWSYDJ-UHFFFAOYSA-N
MW629.85 g/mol
LogP14.00
Rot. Bonds6

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 170303000) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
PubChem CID170303000
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C48H39N/c1-2-16-36(17-3-1)40-28-13-22-37-23-14-30-44(48(37)40)43-27-9-11-32-47(43)49(45-33-15-21-35-19-5-7-25-39(35)45)46-31-10-8-26-42(46)41-29-12-20-34-18-4-6-24-38(34)41/h4-15,18-33,36H,1-3,16-17H2
InChIKeyDZEVKSBBVWSYDJ-UHFFFAOYSA-N
XLogP14.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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)dibenzofuran-1-amine
CID 170301128
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170300901
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
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-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine
CID 170303584
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenanthren-1-yl-N-(3-phenanthren-1-ylphenyl)aniline
CID 170303020
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304646
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 170300936
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170303009
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 170296073
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline
CID 170300987

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine (CID 170303000) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine is c1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3ccccc23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine?
The InChIKey is DZEVKSBBVWSYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N/c1-2-16-36(17-3-1)40-28-13-22-37-23-14-30-44(48(37)40)43-27-9-11-32-47(43)49(45-33-15-21-35-19-5-7-25-39(35)45)46-31-10-8-26-42(46)41-29-12-20-34-18-4-6-24-38(34)41/h4-15,18-33,36H,1-3,16-17H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 629.85 g/mol, XLogP of 14.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170303000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).