Basic information
- CAS
69044-12-8- Standard SMILES
N#Cc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C#N)cc4)cc3)cc2)cc1.[Br-].[Br-]- InChIKey
LPEVHEBZCTUPQF-UHFFFAOYSA-L- Molecular formula
- C24H16Br2N4
- Average molar mass
- 520.2 g/mol
- Monoisotopic mass
- 517.97417
Names & identifiers
- Preferred name
- 1,1'-Bis(4-cyanophenyl)-4,4'-bipyridin-1-ium dibromide
- IUPAC
- 4-[4-[1-(4-cyanophenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzonitrile dibromide
Names & synonyms
69044-12-8SCHEMBL105970821,1'-Bis(4-cyanophenyl)-4,4'-bipyridin-1-ium dibromideDTXSID10603283
Database identifiers
- CAS
69044-12-8- PubChem CID
- 20185682
- DTXSID
DTXSID10603283
Properties
Computed structural properties
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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