4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile

C28H30N2 — CID 178068476

IUPAC4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile
SMILESN#CCCC(c1ccccc1)(c1ccc(Nc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C28H30N2/c29-22-10-21-28(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-17-19-27(20-18-25)30-26-15-8-3-9-16-26/h1,3-5,8-9,11-12,15-20,24,30H,2,6-7,10,13-14,21H2
InChIKeyJMIMUAHCJMUFOS-UHFFFAOYSA-N
MW394.56 g/mol
LogP7.60
Rot. Bonds7

About 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile

4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile (PubChem CID 178068476) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile.

Molecular Properties

Compound Name4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile
PubChem CID178068476
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC Name4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile
SMILESN#CCCC(c1ccccc1)(c1ccc(Nc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C28H30N2/c29-22-10-21-28(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-17-19-27(20-18-25)30-26-15-8-3-9-16-26/h1,3-5,8-9,11-12,15-20,24,30H,2,6-7,10,13-14,21H2
InChIKeyJMIMUAHCJMUFOS-UHFFFAOYSA-N
XLogP7.60
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-anilinophenyl)-4-(4-methylphenyl)-4-phenylbutanenitrile
CID 178068522
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 24842565
2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 134856178
4,4-diphenyl-4-sulfanylbutanenitrile
CID 174714594
4,4-difluoro-4-phenylbutanenitrile
CID 116840833
4-[(cyclohexylamino)methyl]-N-phenylaniline
CID 69114747
3-(N-cyclohexylanilino)propanenitrile
CID 43183263
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile
CID 59317013
1-cyclohexyl-1-hydroxy-7-(methylamino)-1-phenylhept-5-yn-2-one
CID 15105857

Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile?
The IUPAC name of 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile (CID 178068476) is 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile.
What is the SMILES notation for 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile?
The canonical SMILES for 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile is N#CCCC(c1ccccc1)(c1ccc(Nc2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile?
The InChIKey is JMIMUAHCJMUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2/c29-22-10-21-28(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-17-19-27(20-18-25)30-26-15-8-3-9-16-26/h1,3-5,8-9,11-12,15-20,24,30H,2,6-7,10,13-14,21H2.
What are the key properties of 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile?
4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile has a molecular weight of 394.56 g/mol, XLogP of 7.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinophenyl)-4-cyclohexyl-4-phenylbutanenitrile is sourced from PubChem (CID 178068476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).