Tris(4-carbazoyl-9-ylphenyl)amine（TCTA） - ≥98% , CAS No.139092-78-7

CAS: 139092-78-7 Cat. No.: T123987 Molecular Weight: 740.9 EC Number: 625-738-6

GRADE & PURITY ≥98%

Synonyms

TCTA | 4-(9H-CARBAZOL-9-YL)-N,N-BIS[4-(9H-CARBAZOL-9-YL)PHENYL]ANILINE | tris(4-(9H-carbazol-9-yl)phenyl)amine | 4,4',4''-Tri-9-carbazolyltriphenylamine | Tris(4-carbazoyl-9-ylphenyl)amine | SY052830 | Tris[4-(9H-carbazol-9-yl)phenyl]amine | 4,4,4-Tris(N-

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

OLED hole transporter material.

Specifications

Synonyms

TCTA | 4-(9H-CARBAZOL-9-YL)-N, N-BIS[4-(9H-CARBAZOL-9-YL)PHENYL]ANILINE | tris(4-(9H-carbazol-9-yl)phenyl)amine | 4, 4', 4''-Tri-9-carbazolyltriphenylamine | Tris(4-carbazoyl-9-ylphenyl)amine | SY052830 | Tris[4-(9H-carbazol-9-yl)phenyl]amine | 4, 4, 4-Tris(N-

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765160
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765160
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)N(C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21
• IUPAC Name: 4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline
• InChIKey: AWXGSYPUMWKTBR-UHFFFAOYSA-N
• INCHI: 1S/C54H36N4/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58/h1-36H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)N(C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21
• WGK Germany: 3
• Molecular Weight: 740.9
• Reaxy-Rn: 8302546

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Carbazoles Phenylpyrroles Indoles Aniline and substituted anilines Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tertiary aromatic amine - Carbazole - 1-phenylpyrrole - Indole or derivatives - Indole - Aniline or substituted anilines - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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

• Melt Point(°C): 299 °C
• Molecular Weight: 740.900 g/mol
• XLogP3: 14.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 740.294 Da
• Monoisotopic Mass: 740.294 Da
• Topological Polar Surface Area: 18.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1130.000
• 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. Tongmou Geng, Zongming Zhu, Xie Wang, Hongyu Xia, Yu Wang, Dengkun Li.  (2017)  Poly{tris[4-(2-Thienyl)phenyl]amine} fluorescent conjugated microporous polymer for selectively sensing picric acid.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2017.01.005]

2. Lu Li, Weiyi Chen, Meng Wang, Xinjiang Shi, Shiming Zhang, Debao Xiao.  (2024)  Hole-transporting materials boost optoelectronic performance: Their first application in electrochromic device based on 1,1′-Bis(3-sulfopropyl) viologen.  CHEMICAL PHYSICS LETTERS,      [PMID:] [10.1016/j.cplett.2024.141143]

3. Feifan Zhao, Feiyan Xu, Hermenegildo García, Jiaguo Yu.  (2025)  Amine-functionalized covalent organic frameworks for high-performance carbon dioxide capture.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40743922] [10.1016/j.jcis.2025.138532]