2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile

C22H19N — CID 59975018

IUPAC2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc(-c3cc(C)c(C#N)c(C)c3)cc2)cc1
InChIInChI=1S/C22H19N/c1-15-4-6-18(7-5-15)19-8-10-20(11-9-19)21-12-16(2)22(14-23)17(3)13-21/h4-13H,1-3H3
InChIKeyTZSNWSDLQHARPB-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.82
Rot. Bonds2

About 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile

2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile (PubChem CID 59975018) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile
PubChem CID59975018
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc(-c3cc(C)c(C#N)c(C)c3)cc2)cc1
InChIInChI=1S/C22H19N/c1-15-4-6-18(7-5-15)19-8-10-20(11-9-19)21-12-16(2)22(14-23)17(3)13-21/h4-13H,1-3H3
InChIKeyTZSNWSDLQHARPB-UHFFFAOYSA-N
XLogP5.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-4-(4-methylphenyl)benzonitrile
CID 20714839
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzonitrile
CID 90211912
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile
CID 163272794
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
2,6-dimethyl-4-methylsulfanylbenzonitrile
CID 59208149
1-fluoro-2-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-3-methyl-5-(4-methylphenyl)benzene
CID 134376452
3-(4-methylphenyl)-5-(trifluoromethoxy)benzonitrile
CID 172990921
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene
CID 59133253

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile?
The IUPAC name of 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile (CID 59975018) is 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile is Cc1ccc(-c2ccc(-c3cc(C)c(C#N)c(C)c3)cc2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile?
The InChIKey is TZSNWSDLQHARPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-15-4-6-18(7-5-15)19-8-10-20(11-9-19)21-12-16(2)22(14-23)17(3)13-21/h4-13H,1-3H3.
What are the key properties of 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile?
2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile has a molecular weight of 297.40 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile is sourced from PubChem (CID 59975018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).