5,10,15-tris(4-nitrophenyl)corrole

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5,10,15-tris(4-nitrophenyl)corrole

5,10,15-tris(4-nitrophenyl)corrole | 326472-00-8

Catalog Number A14-0052
Category Calcium, Chloride Indictors and Other indicators
Molecular Formula C37H23N7O6
Molecular Weight 661.634
Catalog Number Size Price Quantity
A14-0052 -- $--

Product Introduction

5,10,15-tris(4-nitrophenyl)corrole is a corrole derivative that is used as a trianionic ligand for transition metals.

Chemical Information

Synonyms 5,10,15-Tris(4-nitrophenyl)-23-dehydro-24H-corrole; 1,2,3,7,8,12,13,17,18,19-Decadehydro-21,22-dihydro-5,10,15-tris(4-nitrophenyl)corrin
IUPAC Name 5,10,15-tris(4-nitrophenyl)-22,24-dihydro-21H-corrin
Canonical SMILES C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-])N3)[N+](=O)[O-]
InChI InChI=1S/C37H23N7O6/c45-42(46)24-7-1-21(2-8-24)35-29-15-13-27(38-29)28-14-16-30(39-28)36(22-3-9-25(10-4-22)43(47)48)32-18-20-34(41-32)37(33-19-17-31(35)40-33)23-5-11-26(12-6-23)44(49)50/h1-20,38-40H
InChI Key YFPJYBRBJOHNHS-UHFFFAOYSA-N
  • Product Specification
  • Application
Storage Store at -20°C

5,10,15-tris(4-nitrophenyl)corrole is a synthetic compound belonging to the corrole family, known for its unique chemical properties and applications in various fields. Here are some key applications of 5,10,15-tris(4-nitrophenyl)corrole:

Catalysis: This compound exhibits remarkable catalytic properties due to its macrocyclic structure, making it useful in different catalytic processes. It can be used as a catalyst in oxidation reactions, where it facilitates the conversion of organic substrates with improved efficiency and selectivity. Researchers utilize its catalytic abilities to explore environmentally friendly and sustainable chemical synthesis pathways.

Photodynamic Therapy: 5,10,15-tris(4-nitrophenyl)corrole has potential applications in photodynamic therapy for cancer treatment. It can be used as a photosensitizer that, upon activation by light, generates reactive oxygen species to selectively induce cancer cell death. This approach offers a targeted treatment strategy with minimal damage to surrounding healthy tissues.

Material Science: In material science, this compound is explored for its electronic and photophysical properties, which are useful in developing organic semiconductors. It can be incorporated into materials for organic light-emitting diodes (OLEDs) and organic photovoltaics, enhancing their performance.

Biomimetic Chemistry: The structure of 5,10,15-tris(4-nitrophenyl)corrole mimics natural porphyrins, making it suitable for biomimetic studies. Scientists use it to investigate biological processes like oxygen transport and electron transfer, providing insights into enzyme functions and mechanisms. This knowledge can lead to the development of novel biocompatible materials and synthetic enzymes for industrial applications.

Computed Properties

XLogP3 8.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 661.17098148 g/mol
Monoisotopic Mass 661.17098148 g/mol
Topological Polar Surface Area 198Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1220
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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