Structure Information
Structure

Compound Identification

SMILES

CC1(C)OB(OC1(C)C)B1OC(C)(C)C(C)(C)O1.CN1CC(C2=CC(Cl)=C(Cl)C=C2)C2=C(C1)C=C(OS(=O)(=O)C(F)(F)F)C=C2.CN1CC(C2=CC(Cl)=C(Cl)C=C2)C2=C(C1)C=C(C=C2)B1OC(C)(C)C(C)(C)O1

InChIKey

InChIKey=JAADECCDNMPBCU-UHFFFAOYSA-N

Formula

C51H64B3Cl4F3N2O9S

Mass

1112.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Tetrahydroisoquinolines

Subclass

4-phenyltetrahydroisoquinolines

Intermediate Tree Nodes

Not available

Direct Parent

4-phenyltetrahydroisoquinolines

Alternative Parents

Molecular Framework

Not available

Substituents

4-phenyltetrahydroisoquinoline - 1,2-dichlorobenzene - Trifluoromethanesulfonate - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Boronic acid ester - 1,3,2-dioxaborolane - Methanesulfonate - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Boronic acid derivative - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organic metalloid salt - Amine - Organohalogen compound - Halomethane - Alkyl fluoride - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Organic metalloid moeity - Organic oxide - Organochloride - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-phenyltetrahydroisoquinolines. These are compounds containing a phenyl group attached to the C4-atom of a tetrahydroisoquinoline moiety.

External Descriptors

Not available

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