Basic information
- CAS
19035-84-8- Standard SMILES
Cc1cc[n+](CC(=O)c2ccc(-c3ccc(C(=O)C[n+]4ccc(C)cc4)cc3)cc2)cc1.[Br-].[Br-]- InChIKey
QPICYTZKVGZMQW-UHFFFAOYSA-L- Molecular formula
- C28H26Br2N2O2
- Average molar mass
- 582.3 g/mol
- Monoisotopic mass
- 580.0361
Names & identifiers
- Preferred name
- 4-Picolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))di-, dibromide
- IUPAC
- 2-(4-methylpyridin-1-ium-1-yl)-1-[4-[4-[2-(4-methylpyridin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone dibromide
- English name
- 4-Picolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))di-, dibromide
- Molecular formula
- C28H26Br2N2O2
- Molecular weight
- 582.32624
Names & synonyms
19035-84-84-Picolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))di-, dibromide1,1'-(4,4'-Biphenylenebis(2-oxoethylene))bis(4-methylpyridinium) dibromidePyridinium, 1,1'-(4,4'-biphenylenebis(2-oxoethylene))bis(4-methyl-, dibromideRefChem:295563DTXSID909405872-(4-methylpyridin-1-ium-1-yl)-1-[4-[4-[2-(4-methylpyridin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone;dibromide1,1'-[[1,1'-Biphenyl]-4,4'-diylbis(2-oxoethane-2,1-diyl)]bis(4-methylpyridin-1-ium) dibromide
Database identifiers
- CAS
19035-84-8- PubChem CID
- 87904
- DTXSID
DTXSID90940587
Properties
Computed structural properties
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
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Compound notes
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