PPF , CAS No.911397-27-8

CAS: 911397-27-8 Cat. No.: P434574 Formule: C₃₆H₂₆O₃P₂ Poids moléculaire: 568.55

Synonyms

2,8-Bis(diphenylphosphineoxide)dibenzofuran

Storage

Room temperature

Vue d’ensemble

General Description

A dibenzofuran-based host material for blue electrophosphorescence including thermally activated delayed fluorescence (TADF) OLEDs.

Specifications

Synonymes

2,8-Bis(diphenylphosphineoxide)dibenzofuran

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=C4C=C(C=C5)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7

IUPAC Name

2,8-bis(diphenylphosphoryl)dibenzofuran

InChIKey

AIAJGVRFXREWPK-UHFFFAOYSA-N

INCHI

1S/C36H26O3P2/c37-40(27-13-5-1-6-14-27,28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)39-35)41(38,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26H

Isomères SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=C4C=C(C=C5)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7

Poids moléculaire

568.55

Reaxy-Rn

10612925

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10612925&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Dibenzofurans Heteroaromatic compounds Furans Oxacyclic compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylphosphine - Dibenzofuran - Benzofuran - Phenylphosphine - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 251-255℃
• Poids moléculaire: 568.500 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 568.136 Da
• Monoisotopic Mass: 568.136 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 836.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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

The CAS Number is 911397-27-8, the molecular formula is C36H26O3P2, and the molecular weight is 568.55 g/mol. InChIKey AIAJGVRFXREWPK-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.