4-[4-(4,4'-Dipentylbicyclohexyl-4-ylethynyl)-3-fluorophenylethynyl]-4-methoxy-4'-propyl-bicyclohexyl
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCCC1CCC(C2CCC(C#Cc3ccc(C#CC4(OC)CCC(C5CCC(CCC)CC5)CC4)cc3F)(CCCCC)CC2)CC1- InChIKey
GOEXACOSOLNDIP-UHFFFAOYSA-N- Molecular formula
- C48H73FO
- Average molar mass
- 685.1 g/mol
Names & identifiers
- Preferred name
- 4-[4-(4,4'-Dipentylbicyclohexyl-4-ylethynyl)-3-fluorophenylethynyl]-4-methoxy-4'-propyl-bicyclohexyl
- IUPAC
- 2-fluoro-4-[2-[1-methoxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]-1-[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene
Names & synonyms
SCHEMBL6894731GOEXACOSOLNDIP-UHFFFAOYSA-N4-[4-(4,4'-dipentylbicyclohexyl-4-ylethynyl)-3-fluorophenylethynyl]-4-methoxy-4'-propyl-bicyclohexyl
Database identifiers
- PubChem CID
- 22013390
Properties
Computed structural propertiesFilling in
- XLogP
- 18
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
2 records
Compound notes
Loading…