Compound Identification
SMILES
O=C1CN2C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C(C%11=C%13%17)C9=C9C%19=C%11C%13=C%17C%19=C%20C%21=C%22C%23=C%24C%25=C%26C(=C%12C%25=C%14C%23=C%15C%21=C%19C%16=C%18%13)C%10=C8C5=C%26C4=C%24C%22=C2N(CC(=O)OCCO1)C%20=C1C%17=C%11C(=C79)C6=C31
InChIKey
InChIKey=NDCZATNYHLUAQE-UHFFFAOYSA-N
Formula
C66H8N2O4
Mass
892.8
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 Dibenzazepines Alpha amino acid esters Naphthalenes Azepines Dicarboxylic acids and derivatives Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - Dibenzazepine - Alpha-amino acid ester - Benzazepine - Naphthalene - Azepine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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