5,5'-(Buta-1,3-diyne-1,4-diyl)diquinoline
Basic information
- CAS
928642-01-7- Standard SMILES
C(C#Cc1cccc2ncccc12)#Cc1cccc2ncccc12- InChIKey
HLHVGBVJMPPIIC-UHFFFAOYSA-N- Molecular formula
- C22H12N2
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.10004839
Names & identifiers
- Preferred name
- 5,5'-(Buta-1,3-diyne-1,4-diyl)diquinoline
- IUPAC
- 5-(4-quinolin-5-ylbuta-1,3-diynyl)quinoline
Names & synonyms
928642-01-75,5'-(Buta-1,3-diyne-1,4-diyl)diquinolineDTXSID80853738RefChem:298140DTXCID50804479
Database identifiers
- CAS
928642-01-7- PubChem CID
- 71445166
- DTXSID
DTXSID80853738- Nikkaji
- J2.448.469F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 516
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Compound notes
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