Tris[2-phenylpyridinato-C2,N]iridium(III) - sublimed grade , CAS No.94928-86-6

CAS: 94928-86-6 Cat. No.: T124063 Molecular Weight: 654.78 EC Number: 635-640-5 PubChem CID: 45358635

GRADE & PURITY Sublimed grade

Synonyms

2-Phenylpyridine-iridium (3:1) | fac-Tris(2-phenylpyridine)iridium | F16648 | MFCD12022527 | Ir(ppy)3 | Tris(2-phenylpyridinato)iridium(III);fac-Tris(2-phenylpyridine)iridium | A847595 | Iridium, tris[2-(2-pyridinyl-kN)phenyl-kC]-, (OC-6-22)- | AKOS015901

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

OLED triplet emitter (green).

Specifications

Synonyms

2-Phenylpyridine-iridium (3:1) | fac-Tris(2-phenylpyridine)iridium | F16648 | MFCD12022527 | Ir(ppy)3 | Tris(2-phenylpyridinato)iridium(III);fac-Tris(2-phenylpyridine)iridium | A847595 | Iridium, tris[2-(2-pyridinyl-kN)phenyl-kC]-, (OC-6-22)- | AKOS015901

Specifications & Purity

sublimed grade

Storage

Argon charged, Room temperature

Shipped In

Normal

Grade

Sublimed grade

Names and Identifiers

• Pubchem Sid: 504770576
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770576
• Canonical Smiles: C1=CC=C(C=C1)C2=CC=CC=N2.C1=CC=C(C=C1)C2=CC=CC=N2.C1=CC=C(C=C1)C2=CC=CC=N2.[Ir]
• IUPAC Name: iridium;2-phenylpyridine
• InChIKey: UEEXRMUCXBPYOV-UHFFFAOYSA-N
• INCHI: 1S/3C11H9N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-9H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC=CC=N2.C1=CC=C(C=C1)C2=CC=CC=N2.C1=CC=C(C=C1)C2=CC=CC=N2.[Ir]
• WGK Germany: 3
• PubChem CID: 45358635
• Molecular Weight: 654.78
• Reaxy-Rn: 20803732

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: 2-phenylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic transition metal salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 451 °C
• Molecular Weight: 657.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 658.183 Da
• Monoisotopic Mass: 658.183 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 127.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

References

1. Tao Qin, Tang Ning, OuYang Songtao, Jiang Yanjun, Luo Yun, Liu Yuanjian, Xiong Xiaohui.  (2022)  Rapid Visual Screening of OTA Based on Multicolor Electrochemiluminescence.  Food Analytical Methods,  16  (3): (491-498).  [PMID:] [10.1007/s12161-022-02436-7]

2. Yun Luo, Fenglan Lv, Minhui Wang, Lixia Lu, Yuanjian Liu, Xiaohui Xiong.  (2021)  A multicolor electrochemiluminescence device based on closed bipolar electrode for rapid visual screening of Salmonella typhimurium.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2021.130761]

3. Wang Zhaolong, Zhu Jingyi, Wu Kaifeng.  (2026)  Proton shuttle-assisted triplet energy transfer.  NATURE MATERIALS,      [PMID:] [10.1038/s41563-026-02535-4]