Compound Identification
SMILES
[I-].II.N1C2=CC=CC=C2C2=C(C3=CC=CC=C3)[N+]3=C(N=C12)C1=CC=CC=C1C=C3
InChIKey
InChIKey=GXEQLMRNWBALLX-UHFFFAOYSA-N
Formula
C24H16I3N3
Mass
727.126
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Pyridopyrimidines Isoquinolines and derivatives Pyrrolo[2,3-d]pyrimidines Indoles Pyridinium derivatives Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Isoquinoline - Pyridopyrimidine - Pyrrolo[2,3-d]pyrimidine - Indole - Indole or derivatives - Pyrrolopyrimidine - Monocyclic benzene moiety - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organic iodide salt - Organic cation - Aromatic heteropolycyclic 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