Compound Identification
SMILES
O[C@H](CF)CN1CCN(CC[C@H](CSC2=CC=CC=C2)NC2=C(C=C(C=C2)S(=O)(=O)N(C=O)C2=CC=C(C=C2)N2CCC(CC2)C(O)C2=CC=CC=C2C2=CC=C(Cl)C=C2)S(=O)(=O)C(F)(F)F)CC1
InChIKey
InChIKey=BJCPUBUDFWEHRZ-NFOQWNAWSA-N
Formula
C49H54ClF4N5O7S3
Mass
1032.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Chlorinated biphenyls
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Chlorinated biphenyls
Alternative Parents
Phenylpiperidines Aminobenzenesulfonamides Sulfanilides Benzenesulfonyl compounds Anilides Aniline and substituted anilines Thiophenol ethers Dialkylarylamines Phenylalkylamines Chlorobenzenes N-alkylpiperazines Secondary alkylarylamines Alkylarylthioethers Aryl chlorides Aminosulfonyl compounds Sulfones Organosulfonic acids and derivatives Amino acids and derivatives Fluorohydrins Trihalomethanes Trialkylamines 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Sulfenyl compounds Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorinated biphenyl - Phenylpiperidine - Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonamide - Anilide - Benzenesulfonyl group - Aryl thioether - Thiophenol ether - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Piperidine - Aminosulfonyl compound - Sulfone - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Halohydrin - Trihalomethane - Fluorohydrin - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Sulfenyl compound - Thioether - Carboxylic acid derivative - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Alkyl fluoride - Organic oxide - Organopnictogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Halomethane - Alkyl halide - Amine - Aromatic alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
External Descriptors
Not available