4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile

C23H21N — CID 134172030

IUPAC4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile
SMILESCCC(c1ccccc1)(c1ccc(C)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C23H21N/c1-3-23(20-7-5-4-6-8-20,21-13-9-18(2)10-14-21)22-15-11-19(17-24)12-16-22/h4-16H,3H2,1-2H3
InChIKeyPKCUEHZHNBVTKZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.61
Rot. Bonds4

About 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile

4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile (PubChem CID 134172030) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile
PubChem CID134172030
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile
SMILESCCC(c1ccccc1)(c1ccc(C)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C23H21N/c1-3-23(20-7-5-4-6-8-20,21-13-9-18(2)10-14-21)22-15-11-19(17-24)12-16-22/h4-16H,3H2,1-2H3
InChIKeyPKCUEHZHNBVTKZ-UHFFFAOYSA-N
XLogP5.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[2,5-dimethyl-5-(4-methylphenyl)hexan-2-yl]benzonitrile
CID 167273285
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
4-(2-methylbutan-2-yl)benzonitrile
CID 20726493
4-(2-oxo-1,1-diphenylethyl)benzonitrile
CID 21416520
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
4-methylbenzonitrile;[(E)-prop-1-enyl]benzene;1,4-xylene
CID 143368979
4-(4-anilinophenyl)-4-(4-methylphenyl)-4-phenylbutanenitrile
CID 178068522
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine
CID 142886824
4-[4-(4-tert-butylphenyl)phenyl]benzonitrile
CID 68636211
(14N)benzonitrile
CID 102268532

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile?
The IUPAC name of 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile (CID 134172030) is 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile.
What is the SMILES notation for 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile?
The canonical SMILES for 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile is CCC(c1ccccc1)(c1ccc(C)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile?
The InChIKey is PKCUEHZHNBVTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-3-23(20-7-5-4-6-8-20,21-13-9-18(2)10-14-21)22-15-11-19(17-24)12-16-22/h4-16H,3H2,1-2H3.
What are the key properties of 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile?
4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile has a molecular weight of 311.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile is sourced from PubChem (CID 134172030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).