Compound Identification
SMILES
[Fe++].[CH]1[CH][CH][CH][CH]1.CCNC(=O)SC1=CC=C(C=C1)C1=C2NC(C=C2)=C(C2=NC(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1N2)C1=C(C)C=C(C)C=C1C)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)[C]1[CH][CH][CH][CH]1)C1=C(C)C=C(C)C=C1C
InChIKey
InChIKey=YFROMWIHQLXMGY-UHFFFAOYSA-N
Formula
C71H59FeN5OS
Mass
1086.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
-
Subclass
Metallotetrapyrroles
- Level 5 Metalloporphyrins
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Subclass
Metallotetrapyrroles
-
Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Metallotetrapyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Metalloporphyrins
Alternative Parents
Porphyrins Aryl thioethers Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Thiocarbamic acid derivatives Azacyclic compounds Sulfenyl compounds Cycloalkenes Organic transition metal salts Hydrocarbon derivatives Organopnictogen compounds Unsaturated aliphatic hydrocarbons Organic oxides Carbonyl compounds Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
Metalloporphyrin - Porphyrin - Aryl thioether - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Thiocarbamic acid derivative - Cyclic olefin - Cycloalkene - Azacycle - Organic transition metal salt - Sulfenyl compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Unsaturated hydrocarbon - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Olefin - Unsaturated aliphatic hydrocarbon - Organopnictogen compound - Hydrocarbon - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom.
External Descriptors
Not available