Structure Information
Structure

Compound Identification

SMILES

C[N+](C)(C)CCSC1=C(SCC[N+](C)(C)C)C=C2C3=NC4=C5C=CC=CC5=C(N4)N=C4NC(=NC5=NC(=NC(=N3)C2=C1)C1=CC=CC=C51)C1=CC=CC=C41

InChIKey

InChIKey=KWYMXTGQKRKZEC-UHFFFAOYSA-N

Formula

C42H42N10S2

Mass

750.99

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Subclass

Phthalocyanines

Intermediate Tree Nodes

Not available

Direct Parent

Phthalocyanines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalocyanine skeleton - Isoindole - Isoindole or derivatives - Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Azacycle - Thioether - Sulfenyl compound - Amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalocyanines. These are cyclic tetrapyrroles that contain a phthalocyanine skeleton, which consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.

External Descriptors

Not available

Previous Back Next