Compound Identification
SMILES
COC1=C(OC)C=C2C3C4=CC(OC)=C(OC)C=C4CC[N+]3(CCCOC(=O)\C=C(/Cl)C(=O)OCCC[N+]34CCC5=CC(OC)=C(OC)C=C5C3C3=CC(OC)=C(OC)C=C3CC4)CCC2=C1
InChIKey
InChIKey=YPHSECIIKPURFS-JLQWMSMUSA-N
Formula
C52H63ClN2O12
Mass
943.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Dibenzazecins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dibenzazecins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzazecins
Alternative Parents
Tetrahydroisoquinolines Anisoles Alkyl aryl ethers Aralkylamines Fatty acid esters Dicarboxylic acids and derivatives Vinylogous halides Tetraalkylammonium salts Alpha-halocarboxylic acid derivatives Enoate esters Vinyl chlorides Azacyclic compounds Chloroalkenes Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzazecin - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid ester - Vinyl chloride - Vinyl halide - Carboxylic acid derivative - Azacycle - Haloalkene - Ether - Chloroalkene - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzazecins. These are polycyclic aromatic compounds containing two benzene rings joined by an azecin ring.
External Descriptors
Not available