Basic information
- CAS
85574-15-8- Standard SMILES
CCOC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccccc2)[n+]1-c1ccc(C)cc1- InChIKey
VFJOJFLUDGRLDG-UHFFFAOYSA-N- Molecular formula
- C28H26NO2+
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.19635407
Names & identifiers
- Preferred name
- 2-(Ethoxycarbonyl)-1,4-bis(4-methylphenyl)-6-phenylpyridinium
- IUPAC
- ethyl 1,4-bis(4-methylphenyl)-6-phenylpyridin-1-ium-2-carboxylate
Names & synonyms
DTXSID4011833122-(Ethoxycarbonyl)-1,4-bis(4-methylphenyl)-6-phenylpyridinium85574-15-82-(Ethoxycarbonyl)-1,4-bis(4-methylphenyl)-6-phenylpyridin-1-ium
Database identifiers
- CAS
85574-15-8- PubChem CID
- 3845716
- DTXSID
DTXSID401183312
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 1
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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