Compound Identification
SMILES
[Fe++].[CH]1[CH][CH][CH][CH]1.[O-][N+](=O)C1=CC(=CC(CN2CC34C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%11C9=C9C%11=C%16C%17=C%18C(C%14=C%14C%19=C%13C%13=C%12C%12=C%10C7=C7C%12=C%10C%13=C%12C%19=C%13C%14=C%18C%14=C%17C%17=C(C%18=C%14C%13=C%13C%12=C%10C(=C57)C3=C%18%13)C4(C2[C]2[CH][CH][CH][CH]2)C2=C%17C%16=C9C8=C62)=C%15%11)=C1)[N+]([O-])=O
InChIKey
InChIKey=GQYVYVKNZJVOHT-UHFFFAOYSA-N
Formula
C79H17FeN3O4
Mass
1127.866
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 Naphthalenes Isoindolines Nitrobenzenes Phenylmethylamines Benzylamines Nitroaromatic compounds Aralkylamines N-alkylpyrrolidines Trialkylamines Azacyclic compounds Organic transition metal salts Cycloalkenes Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Unsaturated aliphatic hydrocarbons Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Chrysene - Triphenylene - Naphthalene - Isoindoline - Isoindole or derivatives - Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Organic transition metal salt - Cyclic olefin - Azacycle - Cycloalkene - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Olefin - Hydrocarbon derivative - Amine - Organic oxide - Unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Organonitrogen compound - Organopnictogen compound - Organic cation - Hydrocarbon - 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