2,4,5,6-tetrakis(carbazol-9-yl)-1,3-dicyanobenzene - ≥99%(HPLC) , CAS No.1416881-52-1

CAS: 1416881-52-1 Cat. No.: T302842 Molecular Weight: 788.89 EC Number: 863-265-9 PubChem CID: 102198498

GRADE & PURITY ≥99%(HPLC)

Synonyms

MFCD27939633 | 2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile | 2,4,5,6-Tetra(9H-carbazol-9-yl)-1,3-Dicyanobenzene | 2,4,5,6-Tetra(9H-carbazol-9-yl)isophthalonitrile | 1,2,3,5-Tetrakis(carbazol-9-yl)-4,6-dicyanobenzene | 4CzIPN | tetrakis(9H-carba

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Product Application：

4CzIPN is cyanoarene-based donor-acceptor photocatalyst. This highly stable, versatile organic photocatalyst has an excellent redox window allowing for a broad range of applications. It can also be used in the manufacturing of OLEDs.

Specifications

Synonyms

MFCD27939633 | 2, 4, 5, 6-tetra(carbazol-9-yl)benzene-1, 3-dicarbonitrile | 2, 4, 5, 6-Tetra(9H-carbazol-9-yl)-1, 3-Dicyanobenzene | 2, 4, 5, 6-Tetra(9H-carbazol-9-yl)isophthalonitrile | 1, 2, 3, 5-Tetrakis(carbazol-9-yl)-4, 6-dicyanobenzene | 4CzIPN | tetrakis(9H-carba

Specifications & Purity

≥99%(HPLC)

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 504772793
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772793
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4C#N)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21)C#N
• IUPAC Name: 2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile
• InChIKey: PRWATGACIORDEL-UHFFFAOYSA-N
• INCHI: 1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)44(34-58)55(61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)54(43)60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60/h1-32H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4C#N)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21)C#N
• PubChem CID: 102198498
• Molecular Weight: 788.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Phenylpyrroles Indoles Benzonitriles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 1-phenylpyrrole - Indole - Benzonitrile - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Cyanide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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；Light sensitive；Moisture sensitive；Heat sensitive
• Molecular Weight: 788.900 g/mol
• XLogP3: 13.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 788.269 Da
• Monoisotopic Mass: 788.269 Da
• Topological Polar Surface Area: 67.300 Ų
• Heavy Atom Count: 62
• Formal Charge: 0
• Complexity: 1560.000
• 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: 1

References

1. Muhammad Ahsan Iqbal, Xiaoliang Weng, Chenxu Kang, Nayab Arif, Kewen Wu, Wei Tang, Sichao Dai, Xueqian Fang, Houzhi Cai, Yu-Jia Zeng.  (2023)  Thermally Activated Delayed Fluorescence Triplet State Excitons for High-Performance Organic Photodetectors: A Novel Strategy.  Laser & Photonics Reviews,      [PMID:] [10.1002/lpor.202300612]