Compound Identification
SMILES
[Ti++].CCC#CCC.CC1=CC=C(C=C1)C1=C2C=CC(=N2)C(=C2[N-]C(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1[N-]2)C1=CC=C(C)C=C1)C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
InChIKey
InChIKey=PQLLUGBTHMBAAG-UHFFFAOYSA-N
Formula
C54H46N4Ti
Mass
798.857
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Porphyrins
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Porphyrins
Intermediate Tree Nodes
Not available
Direct Parent
Porphyrins
Alternative Parents
Toluenes Pyrroles Heteroaromatic compounds Terminal alkynes Organic transition metal salts Azacyclic compounds Unsaturated aliphatic hydrocarbons Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Porphyrin - Toluene - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Monosubstituted alkyne - Azacycle - Organic transition metal salt - Organic zwitterion - Hydrocarbon derivative - Acetylene - Unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Organonitrogen compound - Organic nitrogen compound - Acyclic acetylene - Organic salt - Alkyne - Hydrocarbon - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
External Descriptors
Not available