[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate
Basic information
- CAS
83968-92-7- Standard SMILES
CC(=O)[O-].CC[N+]1(CC)C=CC(=C(c2ccccc2Cl)c2c(-c3ccccc3)n(C)c3ccccc23)C=C1- InChIKey
QYWXLTBSPPIORG-UHFFFAOYSA-M- Molecular formula
- C33H33ClN2O2
- Average molar mass
- 525.1 g/mol
- Monoisotopic mass
- 524.223056
Names & identifiers
- Preferred name
- [4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate
- IUPAC
- 3-[(2-chlorophenyl)-(1,1-diethylpyridin-1-ium-4-ylidene)methyl]-1-methyl-2-phenylindole acetate
Names & synonyms
EINECS 281-571-583968-92-7(4-((2-Chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)diethylammonium acetateDTXSID00232864Ethanaminium, N-(4-((2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetateRefChem:69433DTXCID30155355281-571-5QYWXLTBSPPIORG-UHFFFAOYSA-M4-[(2-Chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]-1,1-diethyl-1,4-dihydropyridin-1-ium acetate
Database identifiers
- CAS
83968-92-7- PubChem CID
- 44152136
- DTXSID
DTXSID00232864- EC Number
- 281-571-5
Properties
Computed structural properties
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 795
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
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Compound notes
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