4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene

C35H44F2 — CID 88993495

IUPAC4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene
SMILESC=CC1CCC(c2ccc(C3=CCC(C4CCC(c5ccc(CCC)c(F)c5)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C35H44F2/c1-3-5-30-18-19-31(22-34(30)36)28-12-10-25(11-13-28)26-14-16-29(17-15-26)33-21-20-32(23-35(33)37)27-8-6-24(4-2)7-9-27/h4,16,18-28H,2-3,5-15,17H2,1H3
InChIKeyICYAOJXTUIJHQH-UHFFFAOYSA-N
MW502.73 g/mol
LogP10.53
Rot. Bonds7

About 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene

4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene (PubChem CID 88993495) has the molecular formula C35H44F2 and a molecular weight of 502.73 g/mol. Its IUPAC name is 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene
PubChem CID88993495
Molecular FormulaC35H44F2
Molecular Weight502.73 g/mol
Exact Mass502.34
IUPAC Name4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene
SMILESC=CC1CCC(c2ccc(C3=CCC(C4CCC(c5ccc(CCC)c(F)c5)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C35H44F2/c1-3-5-30-18-19-31(22-34(30)36)28-12-10-25(11-13-28)26-14-16-29(17-15-26)33-21-20-32(23-35(33)37)27-8-6-24(4-2)7-9-27/h4,16,18-28H,2-3,5-15,17H2,1H3
InChIKeyICYAOJXTUIJHQH-UHFFFAOYSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.73
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]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

4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexen-1-yl]benzene
CID 88993385
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene
CID 88993492
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 67737471
4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
CID 88993446
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-heptylbenzene
CID 67739612
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]benzene
CID 88993420
1-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740061
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-[(Z)-pent-1-enoxy]benzene
CID 88998246
5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 88993373
1-[4-(2,3-difluoro-4-nonylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740084
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740072
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740069

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene?
The IUPAC name of 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene (CID 88993495) is 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene.
What is the SMILES notation for 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene?
The canonical SMILES for 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene is C=CC1CCC(c2ccc(C3=CCC(C4CCC(c5ccc(CCC)c(F)c5)CC4)CC3)c(F)c2)CC1.
What is the InChIKey of 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene?
The InChIKey is ICYAOJXTUIJHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44F2/c1-3-5-30-18-19-31(22-34(30)36)28-12-10-25(11-13-28)26-14-16-29(17-15-26)33-21-20-32(23-35(33)37)27-8-6-24(4-2)7-9-27/h4,16,18-28H,2-3,5-15,17H2,1H3.
What are the key properties of 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene?
4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene has a molecular weight of 502.73 g/mol, XLogP of 10.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene is sourced from PubChem (CID 88993495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).