DPTPCz , CAS No.1313391-57-9

CAS: 1313391-57-9 Cat. No.: D431812 Formula: C₃₃H₂₂N₄ Molecular Weight: 474.55

Synonyms

9H-Carbazole,3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl- | BS-46182 | 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole | DTXSID301195192 | 3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9H-carbazole | 1313391-57-9 | DPTPCz | E78780 | 9H-Carbazole, 3-

Storage

Room temperature

Overview

General Description

A bipolar host material for highly efficient blue phosphorescent OLEDs. TAPC:DPTPCz-based device showed a high EQE of 15.4%, which is the highest performance exciplex OLED up to date.

Application

DPTPCz, a carbazole based bipolar host material, can be used as an acceptor molecule for the fabrication of a photosensitizer. It can also be used in application such as phosphorescent organic light-emitting diodes (OLEDs).

Specifications

Synonyms

9H-Carbazole,3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl- | BS-46182 | 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole | DTXSID301195192 | 3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9H-carbazole | 1313391-57-9 | DPTPCz | E78780 | 9H-Carbazole, 3-

Storage

Room temperature

Names and Identifiers

Canonical Smiles

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC=C6)C7=CC=CC=C7

IUPAC Name

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

InChIKey

VPPRLINZYBFAMS-UHFFFAOYSA-N

INCHI

1S/C33H22N4/c1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26/h1-22H

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC=C6)C7=CC=CC=C7

Molecular Weight

474.55

Reaxy-Rn

22981671

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22981671&ln=

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 Benzene and substituted derivatives 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 1-phenylpyrrole - Indole - 1,3,5-triazine - Benzenoid - Triazine - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - 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

• Molecular Weight: 474.600 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 474.184 Da
• Monoisotopic Mass: 474.184 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 698.000
• 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