Compound Identification
SMILES
CCCCC1=NC(C)=C(C(=O)N1CC1=C(F)C=C(C=C1)C1=CC=CC=C1C#N)C1=CC2=C(OCC2)C=C1
InChIKey
InChIKey=XTVCGJORMZUPOM-UHFFFAOYSA-N
Formula
C31H28FN3O2
Mass
493.582
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
Phenylpyrimidines Coumarans Benzonitriles Pyrimidones Alkyl aryl ethers Fluorobenzenes Aryl fluorides Hydropyrimidines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenylcarbonitrile - 5-phenylpyrimidine - Coumaran - Benzonitrile - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Lactam - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - 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