Compound Identification
SMILES
O=C1OCC2=CC=C(COC(=O)[C@]3(N=C(C4=CC=CC=C4)C4=CC=CC=C4)C45C6=C7C8=C9C%10=C%11C%12=C%13C9=C7C7=C9C%13=C%13C%12=C%12C%14=C%15C%16=C%17C(C%10=C%10C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C%27C%28=C(C%29=C4C(C%20=C%22C%29=C%24%28)=C6C%19=C8%10)C(=C9C%27=C%13C%26=C%12C%154C%25(C%23=C%16C%21=C%17%18)[C@@]14N=C(C1=CC=CC=C1)C1=CC=CC=C1)C357)=C%11%14)C=C2
InChIKey
InChIKey=QZEUEWKXPAHXLB-JZPVYNEDSA-N
Formula
C98H28N2O4
Mass
1297.312
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 Diphenylmethanes Naphthalenes Alpha amino acids and derivatives Dicarboxylic acids and derivatives Secondary ketimines Azomethines Lactones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - Diphenylmethane - Alpha-amino acid or derivatives - Naphthalene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Azomethine - Secondary ketimine - Carboxylic acid ester - Ketimine - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Imine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen 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