Compound Identification
SMILES
[Na+].COC1=C(N=C(C=C1)C(C)(C)O)C1=C(CN(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C2=NC=C(OCCCC([O-])=O)C=N2)C=C(C=C1)C(F)(F)F
InChIKey
InChIKey=ODSVQSJNBUKEAH-UHFFFAOYSA-M
Formula
C34H30F9N4NaO5
Mass
768.612
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
- Subclass Phenylpyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Trifluoromethylbenzenes Benzylamines Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Tertiary alcohols Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic metal halides Hydrocarbon derivatives Alkyl fluorides Organic sodium salts Carbonyl compounds Organic zwitterions Aromatic alcohols Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Trifluoromethylbenzene - Benzylamine - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic alkali metal salt - Azacycle - Organic metal halide - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors
Not available