4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile

C23H24N2 — CID 22590745

IUPAC4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
SMILESCCCC1CCC(c2ccc(-c3ccc(C#N)c(C#N)c3)cc2)CC1
InChIInChI=1S/C23H24N2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-22(15-24)23(14-21)16-25/h8-14,17-18H,2-7H2,1H3
InChIKeyMZNSLYMNONLGNZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.17
Rot. Bonds4

About 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile

4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile (PubChem CID 22590745) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
PubChem CID22590745
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
SMILESCCCC1CCC(c2ccc(-c3ccc(C#N)c(C#N)c3)cc2)CC1
InChIInChI=1S/C23H24N2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-22(15-24)23(14-21)16-25/h8-14,17-18H,2-7H2,1H3
InChIKeyMZNSLYMNONLGNZ-UHFFFAOYSA-N
XLogP6.17
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile 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

2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
CID 20603170
2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile
CID 54734121
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
2,6-difluoro-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzonitrile
CID 102416028
3-(4-heptoxyphenyl)-5-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
CID 70521482
(2-cyano-4-methylphenyl) 4-(4-propylcyclohexyl)benzoate
CID 54145493
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
5-(4-cyclohexylphenyl)-2-pentoxybenzonitrile
CID 173349800
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(2-chloroethynyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 19777678

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile (CID 22590745) is 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile is CCCC1CCC(c2ccc(-c3ccc(C#N)c(C#N)c3)cc2)CC1.
What is the InChIKey of 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile?
The InChIKey is MZNSLYMNONLGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-22(15-24)23(14-21)16-25/h8-14,17-18H,2-7H2,1H3.
What are the key properties of 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile?
4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile has a molecular weight of 328.46 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 22590745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).