Compound Identification
SMILES
C[N+]1=CC=CC=C1SC1=CC=C(OCC(SC2=CC=C(OCCCCCCOC3=CC=C(C=C3)C3=CC=C(C=C3)C#N)C=C2)SC2=CC=C(OCCCCCCOC3=CC=C(C=C3)C3=CC=C(C=C3)C#N)C=C2)C=C1
InChIKey
InChIKey=AGXJABOPRCPBBJ-UHFFFAOYSA-N
Formula
C64H62N3O5S3
Mass
1049.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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Subclass
Biphenyls and derivatives
-
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
Diarylthioethers Benzonitriles Thiophenol ethers Phenol ethers Phenoxy compounds N-methylpyridinium compounds Alkylarylthioethers Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Dithioacetals Nitriles Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Diarylthioether - Phenoxy compound - Aryl thioether - Benzonitrile - Phenol ether - Thiophenol ether - Alkyl aryl ether - N-methylpyridinium - Alkylarylthioether - Pyridine - Pyridinium - Thioacetal - Heteroaromatic compound - Organoheterocyclic compound - Thioether - Azacycle - Nitrile - Carbonitrile - Ether - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic 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