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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrahydroisoquinolines
- Subclass 4-phenyltetrahydroisoquinolines
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Class
Tetrahydroisoquinolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrahydroisoquinolines
Subclass
4-phenyltetrahydroisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
4-phenyltetrahydroisoquinolines
Alternative Parents
Trifluoromethanesulfonates Dichlorobenzenes Aralkylamines Sulfonic acid esters Organosulfonic acid esters Aryl chlorides Sulfonyls Boronic acid esters Dioxaborolanes Methanesulfonates Trihalomethanes Trialkylamines Oxacyclic compounds Azacyclic compounds Organic metalloid salts Organochlorides Organofluorides Organometalloid compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organooxygen compounds
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