Compound Identification
SMILES
CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(F)C=C(F)C=C1C#N
InChIKey
InChIKey=QXZGSQAJHBQSSV-UHFFFAOYSA-N
Formula
C21H14F3N5O
Mass
409.372
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenylcarbonitriles
Alternative Parents
Phenylimidazoles Imidazo[1,2-a][1,2,4]triazines Benzonitriles Fluorobenzenes N-substituted imidazoles Aryl fluorides 1,2,4-triazines Tertiary alcohols Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenylcarbonitrile - 4-phenylimidazole - 5-phenylimidazole - Imidazo[1,2-a][1,2,4]triazine - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,2,4-triazine - Triazine - N-substituted imidazole - Azole - Heteroaromatic compound - Tertiary alcohol - Imidazole - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
External Descriptors
Not available