Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Subclass

Porphyrins

Intermediate Tree Nodes

Not available

Direct Parent

Porphyrins

Alternative Parents

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

Previous Back Next