Compound Identification
SMILES
[Ir].S1C2=CC=CC=C2[C-]=C1C1=CC=CC=N1.OC(CC(O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=GHONVWMGJFUUBO-UHFFFAOYSA-N
Formula
C28H24IrNO2S
Mass
630.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
1-benzothiophenes Pyridines and derivatives Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Secondary alcohols Organic transition metal salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols Organic anions
Molecular Framework
Not available
Substituents
Linear 1,3-diarylpropanoid - Benzothiophene - 1-benzothiophene - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Thiophene - Secondary alcohol - Azacycle - Organic transition metal salt - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic alcohol - Organic nitrogen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available