Compound Identification
SMILES
[Ni++].CCC1=NC2=C3[N-]C(N=C4N=C(N=C5[N-]C(=NC6=NC(=N3)C3=C6N=C(CC)C(CC)=N3)C3=C(C=CC(=C53)C3=CC=CC=C3)C3=CC=CC=C3)C3=C(C=CC(=C43)C3=CC=CC=C3)C3=CC=CC=C3)=C2N=C1CC
InChIKey
InChIKey=LQKKIJDPXVBRBC-UHFFFAOYSA-N
Formula
C60H44N12Ni
Mass
991.789
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoindoles and derivatives
- Subclass Isoindoles
-
Class
Isoindoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Isoindoles
Alternative Parents
Pyrazines Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindole - Benzenoid - Pyrazine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic transition metal salt - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
External Descriptors
Not available