N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline

C30H29N — CID 171439106

IUPACN-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H29N/c1-3-7-23(8-4-1)25-11-13-26(14-12-25)28-17-21-30(22-18-28)31-29-19-15-27(16-20-29)24-9-5-2-6-10-24/h2,5-6,9-23,31H,1,3-4,7-8H2
InChIKeyNZGLPYJAIGMMJP-UHFFFAOYSA-N
MW403.57 g/mol
LogP8.81
Rot. Bonds5

About N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline

N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline (PubChem CID 171439106) has the molecular formula C30H29N and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
PubChem CID171439106
Molecular FormulaC30H29N
Molecular Weight403.57 g/mol
Exact Mass403.23
IUPAC NameN-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H29N/c1-3-7-23(8-4-1)25-11-13-26(14-12-25)28-17-21-30(22-18-28)31-29-19-15-27(16-20-29)24-9-5-2-6-10-24/h2,5-6,9-23,31H,1,3-4,7-8H2
InChIKeyNZGLPYJAIGMMJP-UHFFFAOYSA-N
XLogP8.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1'-biphenyl;cyclohexylbenzene
CID 141106050
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
CID 159076923
CID 159076923
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline
CID 170418074
N-(4-cyclohexylphenyl)-3-fluoroaniline
CID 166048926
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline
CID 153363759
1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene
CID 150910002
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
N-(4-cyclohexylphenyl)dibenzothiophen-2-amine
CID 174329595

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline (CID 171439106) is N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(Nc3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline?
The InChIKey is NZGLPYJAIGMMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N/c1-3-7-23(8-4-1)25-11-13-26(14-12-25)28-17-21-30(22-18-28)31-29-19-15-27(16-20-29)24-9-5-2-6-10-24/h2,5-6,9-23,31H,1,3-4,7-8H2.
What are the key properties of N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline?
N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline has a molecular weight of 403.57 g/mol, XLogP of 8.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 171439106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).