Compound Identification
SMILES
CCOC(=O)[C@]1(N=C(C2=CC=CC=C2)C2=CC=CC=C2)C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C8C%14=C%10C%10=C%13C%13=C%15C%10=C%10C%14=C%14C%16=C%17C(C7=C8%16)=C5C2=C2C%17=C5C%14=C%10C7=C%15C8=C%10C%13=C%12C%12=C%10C%10=C(C%13=C4C(C%11=C%12%13)=C69)C13C1=C2C52[C@@](N=C(C3=CC=CC=C3)C3=CC=CC=C3)(C(=O)OCC)C72C8=C%101
InChIKey
InChIKey=IHWDIVAASZEEEL-WWKVZUEFSA-N
Formula
C94H30N2O4
Mass
1251.284
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 Naphthalenes Alpha amino acids and derivatives Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Secondary ketimines Azomethines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Chrysene - Triphenylene - 1-aryltetralin lignan - Diphenylmethane - Alpha-amino acid or derivatives - Naphthalene - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Azomethine - Secondary ketimine - Carboxylic acid ester - Ketimine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Imine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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