Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NN(C=C1C1=C(C#N)C(N)=C(C#N)C(=C1)C1=CC=C(Br)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=HPWPGIRHBSDEEP-UHFFFAOYSA-N
Formula
C30H20BrN5O
Mass
546.428
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Biphenylcarbonitriles Brominated biphenyls Phenylpyrazoles Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Benzonitriles Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Biphenylcarbonitrile - Brominated biphenyl - Biphenyl - Phenylpyrazole - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Benzonitrile - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available