Compound Identification
SMILES
CN1CC23C4=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=CC=C(C=C1)C#CC1=CC(=NC=C1)C1=CC=CC=N1)C1=C%16C%15=C8C7=C51)=C%14%10
InChIKey
InChIKey=NJRNERNZDNVLDO-UHFFFAOYSA-N
Formula
C81H17N3
Mass
1032.048
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 Bipyridines and oligopyridines Phenylpyrrolidines Naphthalenes Isoindolines Aralkylamines N-alkylpyrrolidines Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - Bipyridine - 2-phenylpyrrolidine - Naphthalene - Isoindoline - Isoindole or derivatives - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyridine - Pyrrole - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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