4-[4-(4,4'-Dipentylbicyclohexyl-4-ylethynyl)-2-fluorophenylethynyl]-4,4'-dipentylbicyclohexyl

HCID 22013393
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCC1CCC(C2CCC(C#Cc3ccc(C#CC4(CCCCC)CCC(C5CCC(CCCCC)CC5)CC4)c(F)c3)(CCCCC)CC2)CC1
InChIKey
VHRQQANZHFENIA-UHFFFAOYSA-N
Molecular formula
C54H85F
Average molar mass
753.2 g/mol
Monoisotopic mass
752.66353087

Names & identifiers

Preferred name
4-[4-(4,4'-Dipentylbicyclohexyl-4-ylethynyl)-2-fluorophenylethynyl]-4,4'-dipentylbicyclohexyl
IUPAC
2-fluoro-1,4-bis[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene

Names & synonyms

SCHEMBL6896380VHRQQANZHFENIA-UHFFFAOYSA-N4-[4-(4,4'-dipentylbicyclohexyl-4-ylethynyl)-2-fluorophenylethynyl]-4,4'-dipentylbicyclohexyl

Database identifiers

PubChem CID
22013393

Properties

Computed structural properties

XLogP
23.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
22
Heavy atoms
55

Related reactions

1 records
New reaction record

Compound notes

Loading…