Compound Identification
SMILES
COC(=O)C1=C(C(=O)OC)C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C8=C8C%10=C%15C%16=C%17C(C%13=C%13C%18=C%12C%12=C%11C%11=C9C6=C6C%11=C9C%12=C%11C%18=C%12C%13=C%17C%13=C%16C%16=C(C%17=C%13C%12=C%12C%11=C9C(=C46)C2=C%17%12)C3(C2C=CC3=C(C=CC(C)=C3)N12)C1=C%16C%15=C8C7=C51)=C%14%10
InChIKey
InChIKey=ZPGLDHZHFOLYLO-UHFFFAOYSA-N
Formula
C76H15NO4
Mass
1005.959
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Triphenylenes
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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 Hydroquinolones Alpha amino acids and derivatives Hydroquinolines Naphthalenes Tertiary alkylarylamines Tetrahydropyridines Aralkylamines Dicarboxylic acids and derivatives Methyl esters Enoate esters Vinylogous amides Enamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - Dihydroquinolone - Alpha-amino acid or derivatives - Dihydroquinoline - Naphthalene - Tertiary aliphatic/aromatic amine - Aralkylamine - Tetrahydropyridine - Dicarboxylic acid or derivatives - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Azacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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