Compound Identification
SMILES
O=C([C]1[CH][CH][CH][CH]1)N1CC23C4=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(C1C1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O)C1=C%16C%15=C8C7=C51)=C%14%10
InChIKey
InChIKey=BFGAREWHUWSJRV-UHFFFAOYSA-N
Formula
C82H14NO3
Mass
1061.018
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 Anthraquinones Phenylpyrrolidines Isoindolines N-acylpyrrolidines Aryl ketones Tertiary carboxylic acid amides Pyrroles Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - 9,10-anthraquinone - Anthraquinone - Anthracene - 2-phenylpyrrolidine - Isoindoline - Isoindole or derivatives - Aryl ketone - N-acylpyrrolidine - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Carboxamide group - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - 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