4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline

C42H50N2 — CID 153363759

IUPAC4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline
SMILESc1cc(C2CCCCC2)ccc1Nc1ccc(C2(c3ccc(Nc4ccc(C5CCCCC5)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C42H50N2/c1-4-10-32(11-5-1)34-14-22-38(23-15-34)43-40-26-18-36(19-27-40)42(30-8-3-9-31-42)37-20-28-41(29-21-37)44-39-24-16-35(17-25-39)33-12-6-2-7-13-33/h14-29,32-33,43-44H,1-13,30-31H2
InChIKeyDFBONQWLZQINRP-UHFFFAOYSA-N
MW582.88 g/mol
LogP12.52
Rot. Bonds8

About 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline

4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline (PubChem CID 153363759) has the molecular formula C42H50N2 and a molecular weight of 582.88 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline
PubChem CID153363759
Molecular FormulaC42H50N2
Molecular Weight582.88 g/mol
Exact Mass582.40
IUPAC Name4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline
SMILESc1cc(C2CCCCC2)ccc1Nc1ccc(C2(c3ccc(Nc4ccc(C5CCCCC5)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C42H50N2/c1-4-10-32(11-5-1)34-14-22-38(23-15-34)43-40-26-18-36(19-27-40)42(30-8-3-9-31-42)37-20-28-41(29-21-37)44-39-24-16-35(17-25-39)33-12-6-2-7-13-33/h14-29,32-33,43-44H,1-13,30-31H2
InChIKeyDFBONQWLZQINRP-UHFFFAOYSA-N
XLogP12.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.88
LogP ≤ 512.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline with MolForge

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Related Compounds

1-(4-cyclopentylphenyl)cyclohexan-1-amine
CID 117360957
N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
CID 171439106
4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800997
4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800976
N-(4-cyclohexylphenyl)-3-fluoroaniline
CID 166048926
N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 174254574
N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline
CID 174254907
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
N-chloro-4-cyclopentylaniline
CID 156634921
N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline
CID 142357623
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline
CID 174255106
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol
CID 57059812

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline?
The IUPAC name of 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline (CID 153363759) is 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline.
What is the SMILES notation for 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline?
The canonical SMILES for 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline is c1cc(C2CCCCC2)ccc1Nc1ccc(C2(c3ccc(Nc4ccc(C5CCCCC5)cc4)cc3)CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline?
The InChIKey is DFBONQWLZQINRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50N2/c1-4-10-32(11-5-1)34-14-22-38(23-15-34)43-40-26-18-36(19-27-40)42(30-8-3-9-31-42)37-20-28-41(29-21-37)44-39-24-16-35(17-25-39)33-12-6-2-7-13-33/h14-29,32-33,43-44H,1-13,30-31H2.
What are the key properties of 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline?
4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline has a molecular weight of 582.88 g/mol, XLogP of 12.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline is sourced from PubChem (CID 153363759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).