1,3,5-Tri(9H-carbazol-9-yl)benzene - ≥98%(HPLC) , CAS No.148044-07-9

CAS: 148044-07-9 Cat. No.: T123337 Molecular Weight: 573.68 PubChem CID: 22218951

GRADE & PURITY ≥98%(HPLC)

Synonyms

TCP | FT-0686898 | 1,3,5-TRI(9-CARBAZOLYL)BENZENE | 1,3,5-Tri(9H-carbazol-9-yl)benzene | AS-39310 | 1,3,5-tris(carbazol-9-yl)benzene | 9-[3,5-di(carbazol-9-yl)phenyl]carbazole | 1,3,5-Tris(carbazol-9-yl)benzene;1,3,5-Tri(9H-carbazol-9-yl)benzene | A847611

Storage

Room temperature

Shipped In

Normal

Overview

This material is an advanced host material for phosphorescent guest-host systems; such as used in Organic Light Emitting Diode devices

Specifications

Synonyms

TCP | FT-0686898 | 1, 3, 5-TRI(9-CARBAZOLYL)BENZENE | 1, 3, 5-Tri(9H-carbazol-9-yl)benzene | AS-39310 | 1, 3, 5-tris(carbazol-9-yl)benzene | 9-[3, 5-di(carbazol-9-yl)phenyl]carbazole | 1, 3, 5-Tris(carbazol-9-yl)benzene;1, 3, 5-Tri(9H-carbazol-9-yl)benzene | A847611

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200076
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200076
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18
• IUPAC Name: 9-[3,5-di(carbazol-9-yl)phenyl]carbazole
• InChIKey: DVNOWTJCOPZGQA-UHFFFAOYSA-N
• INCHI: 1S/C42H27N3/c1-7-19-37-31(13-1)32-14-2-8-20-38(32)43(37)28-25-29(44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-30(26-28)45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45/h1-27H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18
• WGK Germany: 3
• PubChem CID: 22218951
• Molecular Weight: 573.68
• Reaxy-Rn: 14393963

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 Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 1-phenylpyrrole - Indole - Benzenoid - 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

• Solubility: Soluble in Tetrahydrofuran
• Melt Point(°C): 325-330°C
• Molecular Weight: 573.700 g/mol
• XLogP3: 11.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 573.22 Da
• Monoisotopic Mass: 573.22 Da
• Topological Polar Surface Area: 14.800 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 837.000
• 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

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3. Min Xue, Mufan Cao, Chengyang Xu, Dewei Xiao, Xiaogang Zhang.  (2022)  EQCM Investigation of a Dual-Doped Polymer Electrode for Li-Ion Batteries with Improved Reversible Capacity.  ACS Applied Materials & Interfaces,      [PMID:35622015] [10.1021/acsami.2c06004]

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