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Phthalocyanine, (purified by sublimation)

Catalog Number
ACM574936-1
CAS Number
574-93-6
Product Name
Phthalocyanine, (purified by sublimation)
Structure
Category
Semiconducting Materials; Phthalonitriles & Naphthalonitriles
IUPAC Name
2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Molecular Weight
514.5g/mol
Molecular Formula
C32H18N8
Canonical SMILES
C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94
InChI
InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)
InChI Key
IEQIEDJGQAUEQZ-UHFFFAOYSA-N
Application
Phthalocyanine (purified by sublimation) is a versatile, synthetic macrocyclic compound recognized for its vibrant blue-green coloration. It is composed of four isoindole rings linked by nitrogen bridges, forming a structure similar to porphyrins, which are biopigments. This configuration lends phthalocyanine the ability to form complexes with various metal ions at its core, resulting in a range of distinct colors. For instance, copper phthalocyanine appears blue, whereas its chlorinated version is green. These compounds are extensively used as durable pigments in a variety of applications, including enamels, inks, plastics, and linoleum. Additionally, phthalocyanines hold significance in the study of photosensitizer and metal complex chemistries, contributing to advancements in catalysts, luminescence, and spectrophotometry. Their semiconductor properties, driven by overlapping pi-electron clouds, open pathways for their use in organic electronics. Phthalocyanine derivatives are investigated for potential applications in solar cells, OLEDs, and even as biosensitizers. With such functional diversity, phthalocyanines continue to be of considerable interest across multiple scientific and industrial domains.
Complexity
777
Covalently-Bonded Unit Count
1
EC Number
209-378-3
Exact Mass
514.165443g/mol
Formal Charge
0
Heavy Atom Count
40
MeSH Entry Terms
dehydrophthalocyanine;dinuclear phthalocyanine H2Pc-H2Pc;phthalocyanine;Pigment Blue 16;trinuclear phthalocyanine H2Pc-H2Pc-H2Pc
Monoisotopic Mass
514.165443g/mol
Rotatable Bond Count
0
UNII
V5PUF4VLGY
XLogP3
6.4
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