N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline

C52H43N — CID 170304646

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C52H43N/c1-4-20-38(21-5-1)42-28-10-11-29-44(42)45-30-12-13-31-46(45)47-32-14-16-36-50(47)53(41-26-8-3-9-27-41)51-37-17-15-33-48(51)49-35-19-25-40-24-18-34-43(52(40)49)39-22-6-2-7-23-39/h1,3-5,8-21,24-37,39H,2,6-7,22-23H2
InChIKeyBEANTQFPAPRGKY-UHFFFAOYSA-N
MW681.92 g/mol
LogP15.03
Rot. Bonds8

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 170304646) has the molecular formula C52H43N and a molecular weight of 681.92 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID170304646
Molecular FormulaC52H43N
Molecular Weight681.92 g/mol
Exact Mass681.34
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C52H43N/c1-4-20-38(21-5-1)42-28-10-11-29-44(42)45-30-12-13-31-46(45)47-32-14-16-36-50(47)53(41-26-8-3-9-27-41)51-37-17-15-33-48(51)49-35-19-25-40-24-18-34-43(52(40)49)39-22-6-2-7-23-39/h1,3-5,8-21,24-37,39H,2,6-7,22-23H2
InChIKeyBEANTQFPAPRGKY-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

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline
CID 170289431
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
CID 170289420
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-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304685
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170292655
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293124
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
CID 170292666
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-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170303000
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068
2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
CID 170289729

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline (CID 170304646) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is BEANTQFPAPRGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N/c1-4-20-38(21-5-1)42-28-10-11-29-44(42)45-30-12-13-31-46(45)47-32-14-16-36-50(47)53(41-26-8-3-9-27-41)51-37-17-15-33-48(51)49-35-19-25-40-24-18-34-43(52(40)49)39-22-6-2-7-23-39/h1,3-5,8-21,24-37,39H,2,6-7,22-23H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline 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 N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170304646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).