1,3,5-Tri[(3-pyridyl)-phen-3-yl]benzene (TmPyPB) - ≥98% , CAS No.921205-03-0

CAS: 921205-03-0 Cat. No.: T434578 Formula: C₃₉H₂₇N₃ Molecular Weight: 537.65 PubChem CID: 51358305

GRADE & PURITY ≥98%

Synonyms

DTXSID20679939 | 3,3'-[5'-[3-(3-Pyridinyl)phenyl][1,1' | SB67082 | AS-39354 | 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine | TmPyPB, 99% (HPLC) | FT-0699219 | TmPyPB | YSZC3100 | 3,3'-(5'-(3-(Pyridin-3-yl)phenyl)-[1,1':3',1''-terphenyl]-3,3''

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Application

Electron-transport and hole/exciton-blocking materail with high electron mobility (10 -4 -10 -3 cm 2 V -1 s -1 ) and high triplet energy level (2.75 eV) for highly efficient phosphorescent OLEDs application.

Specifications

Synonyms

DTXSID20679939 | 3,3'-[5'-[3-(3-Pyridinyl)phenyl][1,1' | SB67082 | AS-39354 | 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine | TmPyPB, 99% (HPLC) | FT-0699219 | TmPyPB | YSZC3100 | 3,3'-(5'-(3-(Pyridin-3-yl)phenyl)-[1,1':3',1''-terphenyl]-3,3''

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC(=C1)C2=CC(=CC(=C2)C3=CC=CC(=C3)C4=CN=CC=C4)C5=CC=CC(=C5)C6=CN=CC=C6)C7=CN=CC=C7
• IUPAC Name: 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
• InChIKey: CINYXYWQPZSTOT-UHFFFAOYSA-N
• INCHI: 1S/C39H27N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-27H
• Isomeric SMILES: C1=CC(=CC(=C1)C2=CC(=CC(=C2)C3=CC=CC(=C3)C4=CN=CC=C4)C5=CC=CC(=C5)C6=CN=CC=C6)C7=CN=CC=C7
• PubChem CID: 51358305
• Molecular Weight: 537.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenylpyridines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Biphenyl - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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): 195-200 °C
• Molecular Weight: 537.600 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 537.22 Da
• Monoisotopic Mass: 537.22 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 697.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 921205-03-0, the molecular formula is C39H27N3, and the molecular weight is 537.65 g/mol. InChIKey CINYXYWQPZSTOT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.