2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline(BCP) - ≥98% , CAS No.4733-39-5

CAS: 4733-39-5 Cat. No.: B106279 Formula: C₂₆H₂₀N₂ Molecular Weight: 360.45 Beilstein Registry Number: 306714 EC Number: 225-240-5

GRADE & PURITY ≥98%

Synonyms

2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

It is used as a reagent for the determination of copper. It acts as an exciton blocking barrier which prohibits excitons diffusion process towards the Al electrode otherwise being quenched. It is the most commonly used buffer layer between acceptor and cathode layer.

Purpose

Use as Electron Transport / Hole Blocking Layer (ETL / HBL) in OLED and perovskite solar cells.

Specifications

Synonyms

2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488183670

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183670

Canonical Smiles

CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)C4=CC=CC=C4)C5=CC=CC=C5

IUPAC Name

2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline

InChIKey

STTGYIUESPWXOW-UHFFFAOYSA-N

INCHI

1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3

Isomeric SMILES

CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)C4=CC=CC=C4)C5=CC=CC=C5

WGK Germany

3

Molecular Weight

360.45

Beilstein

306714

Reaxy-Rn

306714

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=306714&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenanthrolines Phenylpyridines Methylpyridines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 1,10-phenanthroline - 4-phenylpyridine - Methylpyridine - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol (36mg/100ml), ethanol, 2-propanol, bezene, and acetone. Partly miscible in water.
• Sensitivity: air sensitive
• Melt Point(°C): 277-285°C
• Molecular Weight: 360.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 360.163 Da
• Monoisotopic Mass: 360.163 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 461.000
• 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