Compound Identification
SMILES
FC(F)(F)COC1=CC=C(C=C1)C1=C(C=C(C=C1)C(=O)N1CCC(C1)C1=CN=CC=C1)C1=CN=CN=C1
InChIKey
InChIKey=ROLSNNLAGOISKI-UHFFFAOYSA-N
Formula
C28H23F3N4O2
Mass
504.513
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Biphenyls and derivatives Pyrrolidinylpyridines Benzamides Benzoyl derivatives N-acylpyrrolidines Phenol ethers Phenoxy compounds Alkyl aryl ethers Heteroaromatic compounds Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - 5-phenylpyrimidine - Pyrrolidinylpyridine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - N-acylpyrrolidine - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Amine - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available