Bidimazium

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Basic information

CAS: 47627-25-8
Standard SMILES: CN(C)c1ccc(/C=C/c2scc(-c3ccc(-c4ccccc4)cc3)[n+]2C)cc1
InChIKey: FLIFVPQCMBENHZ-UHFFFAOYSA-N
Molecular formula: C26H25N2S+
Average molar mass: 397.6 g/mol
Monoisotopic mass: 397.17384498

Names & identifiers

Preferred name: Bidimazium
IUPAC: N,N-dimethyl-4-[(E)-2-[3-methyl-4-(4-phenylphenyl)-1,3-thiazol-3-ium-2-yl]ethenyl]aniline

Names & synonyms

BidimaziumBidimazium cationBidimazium ionUNII-597U4453D847627-25-8597U4453D8DTXSID401972264-(4-BIPHENYLYL)-2-(P-(DIMETHYLAMINO)STYRYL)-3-METHYLTHIAZOLIUMRefChem:119760DTXCID50119717CHEMBL2110815SCHEMBL29387642

Show more names

Q272616804-([1,1'-Biphenyl]-4-yl)-2-{(E)-2-[4-(dimethylamino)phenyl]ethen-1-yl}-3-methyl-1,3-thiazol-3-ium

Database identifiers

CAS: 47627-25-8
PubChem CID: 6450243
DTXSID: DTXSID40197226
ChEMBL: CHEMBL2110815
UNII: 597U4453D8
Nikkaji: J239.295J

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 35.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 1
Complexity: 511

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Compound notes

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