Basic information
- CAS
194936-18-0- Standard SMILES
O=C(c1ccc(C#Cc2ccc(F)cc2)cc1)c1ccc(C#Cc2ccc(F)cc2)cc1- InChIKey
CQCNRSYTVJZASQ-UHFFFAOYSA-N- Molecular formula
- C29H16F2O
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.11692145
Names & identifiers
- Preferred name
- Bis{4-[(4-fluorophenyl)ethynyl]phenyl}methanone
- IUPAC
- bis[4-[2-(4-fluorophenyl)ethynyl]phenyl]methanone
Names & synonyms
bis{4-[(4-fluorophenyl)ethynyl]phenyl}methanone194936-18-0Methanone, bis[4-[(4-fluorophenyl)ethynyl]phenyl]-bis(4-((4-fluorophenyl)ethynyl)phenyl)methanonebis[4-[2-(4-fluorophenyl)ethynyl]phenyl]methanoneSCHEMBL7716924DTXSID70346689CQCNRSYTVJZASQ-UHFFFAOYSA-NSTL330334AKOS022138727AG-690/11962058AG-690/37012128
Show more names
Methanone, bis[4-(4-fluorophenylethynyl)phenyl]-Bis(4-[(4-fluorophenyl)ethynyl]phenyl)methanone #
Database identifiers
- CAS
194936-18-0- PubChem CID
- 613998
- DTXSID
DTXSID70346689- Nikkaji
- J1.045.112D
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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