4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile

C17H17N — CID 90908719

IUPAC4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile
SMILESCc1cc(C)cc(-c2c(C)cc(C#N)cc2C)c1
InChIInChI=1S/C17H17N/c1-11-5-12(2)7-16(6-11)17-13(3)8-15(10-18)9-14(17)4/h5-9H,1-4H3
InChIKeyJONOWHUTOAEYFW-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.46
Rot. Bonds1

About 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile

4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile (PubChem CID 90908719) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile
PubChem CID90908719
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile
SMILESCc1cc(C)cc(-c2c(C)cc(C#N)cc2C)c1
InChIInChI=1S/C17H17N/c1-11-5-12(2)7-16(6-11)17-13(3)8-15(10-18)9-14(17)4/h5-9H,1-4H3
InChIKeyJONOWHUTOAEYFW-UHFFFAOYSA-N
XLogP4.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
CID 134295540
2-(3,5-dimethylphenyl)-1,3,4,5-tetramethylbenzene
CID 171799163
4-[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-methylbenzonitrile
CID 158124936
3,4-dihydroxy-5-methylbenzonitrile
CID 101349951
5-[4-cyano-2,6-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538740
3-(3,5-dimethylphenyl)-4-fluorobenzonitrile
CID 82115047
3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237910
2-(3,5-dimethoxyphenyl)-1,3,5-trimethylbenzene
CID 132567017
6-methylbenzene-1,2,4-tricarbonitrile
CID 101082761
4-(bromomethyl)-3,5-dimethylbenzonitrile
CID 22616109
4-[4-(4-cyano-2,6-dimethylphenyl)-2,1,3-benzothiadiazol-7-yl]-3,5-dimethylbenzonitrile
CID 170898747
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427412

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile?
The IUPAC name of 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile (CID 90908719) is 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile is Cc1cc(C)cc(-c2c(C)cc(C#N)cc2C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile?
The InChIKey is JONOWHUTOAEYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-11-5-12(2)7-16(6-11)17-13(3)8-15(10-18)9-14(17)4/h5-9H,1-4H3.
What are the key properties of 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile?
4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile has a molecular weight of 235.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile is sourced from PubChem (CID 90908719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).