2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene

C32H38F2 — CID 129065275

IUPAC2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)cc3)c(F)c2F)CC1
InChIInChI=1S/C32H38F2/c1-3-5-6-8-24-11-15-27(16-12-24)29-21-22-30(32(34)31(29)33)28-19-17-26(18-20-28)25-13-9-23(7-4-2)10-14-25/h9-10,13-14,17-22,24,27H,3-8,11-12,15-16H2,1-2H3
InChIKeyJSAFPJSUYACQNS-UHFFFAOYSA-N
MW460.65 g/mol
LogP10.11
Rot. Bonds9

About 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene

2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene (PubChem CID 129065275) has the molecular formula C32H38F2 and a molecular weight of 460.65 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
PubChem CID129065275
Molecular FormulaC32H38F2
Molecular Weight460.65 g/mol
Exact Mass460.29
IUPAC Name2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)cc3)c(F)c2F)CC1
InChIInChI=1S/C32H38F2/c1-3-5-6-8-24-11-15-27(16-12-24)29-21-22-30(32(34)31(29)33)28-19-17-26(18-20-28)25-13-9-23(7-4-2)10-14-25/h9-10,13-14,17-22,24,27H,3-8,11-12,15-16H2,1-2H3
InChIKeyJSAFPJSUYACQNS-UHFFFAOYSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene 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

2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858890
1-butyl-4-[4-[2,3-difluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 67730689
1-[4-[2,3-difluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 67738242
1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
CID 59874072
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
2,3-difluoro-1-methyl-4-(4-propylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-propylphenyl)benzene
CID 159473916
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 67738211
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
2,3-difluoro-1-[2-(4-heptylcyclohexyl)ethyl]-4-(4-heptylphenyl)benzene
CID 67895821
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene (CID 129065275) is 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)cc3)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene?
The InChIKey is JSAFPJSUYACQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2/c1-3-5-6-8-24-11-15-27(16-12-24)29-21-22-30(32(34)31(29)33)28-19-17-26(18-20-28)25-13-9-23(7-4-2)10-14-25/h9-10,13-14,17-22,24,27H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene?
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene has a molecular weight of 460.65 g/mol, XLogP of 10.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 129065275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).