1-Ethyl-2-((1-ethyl-2(1H)-quinolinylidene)methyl)quinolinium

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Basic information

CAS: 20766-49-8
Standard SMILES: CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21
InChIKey: AGJZCWVTGOVGBS-UHFFFAOYSA-N
Molecular formula: C23H23N2+
Average molar mass: 327.4 g/mol
Monoisotopic mass: 327.18612374

Overview

1,1'-diethyl-2,2'-cyanine is a member of quinolines.

Names & identifiers

Preferred name: 1-Ethyl-2-((1-ethyl-2(1H)-quinolinylidene)methyl)quinolinium
IUPAC: (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline

Names & synonyms

1,1'-Diethyl-2,2'-cyaninePseudoisocyanine20766-49-8CHEBI:37994DTXSID40174835NSC-97374RefChem:8702121-ETHYL-2-((1-ETHYL-2(1H)-QUINOLINYLIDENE)METHYL)QUINOLINIUMDTXCID0097326NK1046NK-1046Quinolinium, 1-ethyl-2-((1-ethyl-2(1H)-quinolinylidene)methyl)-

Show more names

SQ2A744RSS64496-43-1CHEMBL1197556(2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline1-Ethyl-2-[(1E)-(1-ethyl-2(1H)-quinolinylidene)methyl]quinolinium1-ethyl-2-[(E)-(1-ethylquinolin-2(1H)-ylidene)methyl]quinolinium1-Ethyl-2-((1-ethyl-2(1H)-quinolylidene)methyl)quinoliniumMLS000532635

Database identifiers

CAS: 20766-49-8
PubChem CID: 5484463
ChEMBL: CHEMBL1197556
ChEBI: CHEBI:37994
Nikkaji: J1.584.412D、J293.397G

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 7.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 1
Complexity: 464

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Compound notes

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