Compound Identification
SMILES
[I-].COC1=CC=C(C=C1)C1=CN=C(N=C1C1=CC=C(OC)C=C1)C1=CC=[N+](CCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=IBVKEHGNYXAAKO-UHFFFAOYSA-M
Formula
C31H28IN3O2
Mass
601.488
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 Pyridinylpyrimidines
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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
Pyridinylpyrimidines
Alternative Parents
Phenylpyrimidines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Pyridinylpyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Heteroaromatic compound - Ether - Azacycle - Organic iodide salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
External Descriptors
Not available