Compound Identification
SMILES
COC(=O)C12OC(CC3CN(C(=O)C4=CC=CC=C4)C4=CC=CC=C34)(N(C)C1=O)C13C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C%10=C9C9=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C(C6=C8C%11=C%26C%12=C%24C%22=C%13C%20=C%14C%18=C%10%16)C6=C%25C8=C(C%10=C%11C(C%19=C%21C%10=C%238)=C%17C(=C%15C4=C79)C21%11)C3=C56
InChIKey
InChIKey=WEUPFWGRDOZYNK-UHFFFAOYSA-N
Formula
C82H20N2O5
Mass
1113.071
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 10,11-secoergolines Ergoline and derivatives Naphthofurans Indolecarboxylic acids and derivatives Isoquinolones and derivatives Naphthalenes Piperidinecarboxylic acids Benzamides Benzoyl derivatives Piperidinones Delta lactams Oxazolidinones Tertiary carboxylic acid amides Oxolanes Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triphenylene - Chrysene - 10,11-secoergoline - Ergoline skeleton - Naphthofuran - Indolecarboxylic acid derivative - Isoquinolone - Naphthalene - Benzamide - Benzoic acid or derivatives - Indole or derivatives - Piperidinecarboxylic acid - Alkaloid or derivatives - Benzoyl - Piperidinone - Delta-lactam - Oxazolidinone - Piperidine - Monocyclic benzene moiety - Methyl ester - Tertiary carboxylic acid amide - Oxolane - Oxazolidine - Carboxylic acid ester - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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