Compound Identification
SMILES
[Ir].CC(=O)CC(C)=O.CCCCC1=CC=CC(=[C-]1)C1=NC2=C3C(C=CC4=C(N=C(C5=CC=CC=C5)C(C=C2)=C34)C2=CC=CC=C2)=N1.CCCCC1=CC=CC(=[C-]1)C1=NC2=C3C(C=CC4=C(N=C(C5=CC=CC=C5)C(C=C2)=C34)C2=CC=CC=C2)=N1
InChIKey
InChIKey=HBXQSQINTCSTEX-UHFFFAOYSA-N
Formula
C75H60IrN6O2
Mass
1269.563
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
-
Level 5
Quinazolines
- Level 6 Perimidines
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Level 5
Quinazolines
-
Subclass
Benzodiazines
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Perimidines
Alternative Parents
Phenylpyridines Naphthalenes Isoquinolines and derivatives Beta-diketones Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Heteroaromatic compounds Ketones Organic transition metal salts Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Not available
Substituents
Perimidine - 2-phenylpyridine - Isoquinoline - Naphthalene - 1,3-diketone - Monocyclic benzene moiety - Pyridine - Pyrimidine - 1,3-dicarbonyl compound - Benzenoid - Heteroaromatic compound - Ketone - Organic transition metal salt - Azacycle - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as perimidines. These are organic compounds containing a benzene ring fused to a quinazoline ring system. They are analogues of phenalenes where two carbon atoms in exactly one ring are replaced by nitrogen atoms to form a pyrimidine.
External Descriptors
Not available