Compound Identification
SMILES
CCOC(=O)C(NC(C1=CC=CC=C1)C1=CC=CC=C1)C12C3C4C5=C6C7=C4C4=C8C3=C3C9=C%10C8=C8C4=C4C7=C7C%11=C%12C%13=C%14C%15=C%16C(C1C5=C%16C%13=C6%11)=C1C5=C6C%11=C%13C(=C%155)C%14=C5C%12=C%12C7=C4C4=C8C7=C%10C(C9=C6C1=C23)=C%11C1=C%13C5=C%12C4=C71
InChIKey
InChIKey=KCSJABWDWLMISK-UHFFFAOYSA-N
Formula
C77H21NO2
Mass
992.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Triphenylenes
-
Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Triphenylenes
Intermediate Tree Nodes
Not available
Direct Parent
Triphenylenes
Alternative Parents
Chrysenes Aryltetralin lignans Diphenylmethanes Alpha amino acid esters Tetralins Naphthalenes Aralkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triphenylene - 1-aryltetralin lignan - Chrysene - Alpha-amino acid ester - Diphenylmethane - Alpha-amino acid or derivatives - Tetralin - Naphthalene - Aralkylamine - Monocyclic benzene moiety - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Amine - Organonitrogen compound - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
External Descriptors
Not available