1-Ethyl-2-(2-{3-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-2-methoxycyclohex-1-en-1-yl}ethenyl)quinolin-1-ium iodide
Basic information
- CAS
70446-28-5- Standard SMILES
CCN1/C(=C/C=C2\CCCC(/C=C/c3ccc4ccccc4[n+]3CC)=C2OC)C=Cc2ccccc21.[I-]- InChIKey
POTBXVZBIBHMBV-UHFFFAOYSA-M- Molecular formula
- C33H35IN2O
- Average molar mass
- 602.5 g/mol
- Monoisotopic mass
- 602.17941
Names & identifiers
- Preferred name
- 1-Ethyl-2-(2-{3-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-2-methoxycyclohex-1-en-1-yl}ethenyl)quinolin-1-ium iodide
- IUPAC
- (2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-2-methoxycyclohex-2-en-1-ylidene]ethylidene]quinoline iodide
- English name
- 1-Ethyl-2-[(E)-2-(3-((E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene)-2-methoxy-1-cyclohexen-1-yl)ethenyl]quinolinium iodide
- Molecular formula
- C33H35IN2O
- Molecular weight
- 602.55
Names & synonyms
70446-28-5DTXSID10698093AKOS0008142261-Ethyl-2-(2-{3-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-2-methoxycyclohex-1-en-1-yl}ethenyl)quinolin-1-ium iodide1-Ethyl-2-(2-{3-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-2-methoxycyclohex-1-en-1-yl}ethen-1-yl)quinolin-1-ium iodideQUINOLINIUM, 1-ETHYL-2-[2-[3-[(1-ETHYL-2(1H)-QUINOLINYLIDENE)ETHYLIDENE]-2-METHOXY-1-CYCLOHEXEN-1-YL]ETHENYL]-, IODIDE1-Ethyl-2-[(E)-2-(3-((E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene)-2-methoxy-1-cyclohexen-1-yl)ethenyl]quinolinium iodide
Database identifiers
- CAS
70446-28-5- PubChem CID
- 12464489
- DTXSID
DTXSID10698093
Properties
Computed structural properties
- Topological polar surface area
- 16.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 843
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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