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2,3,5,6-Tetra(9H-carbazol-9-yl)terephthalonitrile - 98%, high purity , CAS No.1416881-53-2

COA

Grade & Purity:

≥98%

Cas Number: 1416881-53-2
Molecular Weight: 788.27
PubChem CID: 101136488
PubChem SID: 488202582

In stock

Item Number

T302843

Grouped product items
SKU	Size	Availability	Price
T302843-50mg	50mg	3	$151.90
T302843-250mg	250mg	2	$627.90
T302843-500mg	500mg	1	$1,044.90
T302843-1g	1g	1	$1,880.90

Discover 2,3,5,6-Tetra(9H-carbazol-9-yl)terephthalonitrile by Aladdin Scientific in 98% for only $151.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4CzTPN \| 1416881-53-2 \| 1,4-Benzenedicarbonitrile, 2,3,5,6-tetra-9H-carbazol-9-yl- \| 2,3,5,6-Tetrakis(carbazol-9-yl)-1,4-dicyanobenzene \| 2,3,5,6-Tetra(9H-carbazol-9-yl)terephthalonitrile \| 2,3,5,6-tetra(carbazol-9-yl)benzene-1,4-dicarbonitrile \| SCHEMBL16176140 \| DTXS
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product description 4CzTPN, namely 2,3,5,6-tetrakis(carbazol-9-yl)-1,4-dicyanobenzene, is one of the three isomers of 4CzPN and 4CzIPN. 4CzTPN is normally used in thermally activated delayed fluorescence (TADF) device as green dopant materials. When it is compared with 4CzIPN, it has lower photoluminescence quantum efficiency and a shorter lived triplet lifetime due to the fact that 4CzIPN can widely disperse its highest occupied molecular orbital (HOMO) over the donor carbazolyl moieties.

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
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

Names and Identifiers

Pubchem Sid	488202582
IUPAC Name	2,3,5,6-tetra(carbazol-9-yl)benzene-1,4-dicarbonitrile
INCHI	InChI=1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)54(60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60)44(34-58)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)55(43)61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61/h1-32H
InChIKey	OYNJAUIAADXAOW-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4N5C6=CC=CC=C6C7=CC=CC=C75)C#N)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21)C#N
Isomeric SMILES	C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4N5C6=CC=CC=C6C7=CC=CC=C75)C#N)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21)C#N
PubChem CID	101136488
Molecular Weight	788.27

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E2317256	Certificate of Analysis	Feb 18, 2023	T302843
E2317254	Certificate of Analysis	Feb 18, 2023	T302843
E2317257	Certificate of Analysis	Feb 18, 2023	T302843
E2317837	Certificate of Analysis	Feb 18, 2023	T302843
E2317262	Certificate of Analysis	Feb 18, 2023	T302843
E2317247	Certificate of Analysis	Feb 18, 2023	T302843
E2317782	Certificate of Analysis	Feb 18, 2023	T302843
E2317902	Certificate of Analysis	Feb 18, 2023	T302843

Chemical and Physical Properties

Melt Point(°C)	> 360 °C (lit.)
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 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1410.000
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

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