2'-Fluoro-4''-pentyl-4-(4-propylcyclohexyl)-1,1':4',1''-terphenyl
Basic information
- CAS
146862-04-6- Standard SMILES
CCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(F)c2)cc1- InChIKey
NJBVNDULLJATRX-UHFFFAOYSA-N- Molecular formula
- C32H39F
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.30357941
Names & identifiers
- Preferred name
- 2'-Fluoro-4''-pentyl-4-(4-propylcyclohexyl)-1,1':4',1''-terphenyl
- IUPAC
- 2-fluoro-4-(4-pentylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
Names & synonyms
5F3cHTDTXSID5013791462'-fluoro-4''-pentyl-4-(4-propylcyclohexyl)-1,1':4',1''-terphenyl1,1a(2):4a(2),1a(2)a(2)-Terphenyl, 2a(2)-fluoro-4a(2)a(2)-pentyl-4-(4-propylcyclohexyl)-, trans-146862-04-6
Database identifiers
- CAS
146862-04-6- PubChem CID
- 175685512
- DTXSID
DTXSID501379146
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 519
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Compound notes
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