2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline

C52H43N — CID 170289431

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C52H43N/c1-5-17-39(18-6-1)46-36-33-43(37-50(46)41-21-9-3-10-22-41)38-31-34-45(35-32-38)53(44-25-11-4-12-26-44)51-30-14-13-27-48(51)49-29-16-24-42-23-15-28-47(52(42)49)40-19-7-2-8-20-40/h1,3-6,9-18,21-37,40H,2,7-8,19-20H2
InChIKeyUEJQOJIPVKLWIP-UHFFFAOYSA-N
MW681.92 g/mol
LogP15.03
Rot. Bonds8

About 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline (PubChem CID 170289431) has the molecular formula C52H43N and a molecular weight of 681.92 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline
PubChem CID170289431
Molecular FormulaC52H43N
Molecular Weight681.92 g/mol
Exact Mass681.34
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C52H43N/c1-5-17-39(18-6-1)46-36-33-43(37-50(46)41-21-9-3-10-22-41)38-31-34-45(35-32-38)53(44-25-11-4-12-26-44)51-30-14-13-27-48(51)49-29-16-24-42-23-15-28-47(52(42)49)40-19-7-2-8-20-40/h1,3-6,9-18,21-37,40H,2,7-8,19-20H2
InChIKeyUEJQOJIPVKLWIP-UHFFFAOYSA-N
XLogP15.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.92
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304646
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline
CID 170290799
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]dibenzofuran-2-amine
CID 170295934
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170295954
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293079
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170303009
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
CID 170289420
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293124
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenanthren-1-ylphenyl)aniline
CID 170303011
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170303669
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline (CID 170289431) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline?
The InChIKey is UEJQOJIPVKLWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N/c1-5-17-39(18-6-1)46-36-33-43(37-50(46)41-21-9-3-10-22-41)38-31-34-45(35-32-38)53(44-25-11-4-12-26-44)51-30-14-13-27-48(51)49-29-16-24-42-23-15-28-47(52(42)49)40-19-7-2-8-20-40/h1,3-6,9-18,21-37,40H,2,7-8,19-20H2.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline has a molecular weight of 681.92 g/mol, XLogP of 15.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 170289431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).