N-[[1,1'-Biphenyl]-4-yl]-9,9-dimethyl-N-[4-(9-phenyl-9H-carbazol-3-yl)phenyl]-9H-fluoren-2-amine - ≥98% , CAS No.1242056-42-3

CAS: 1242056-42-3 Cat. No.: H398625 Molecular Weight: 678.86 EC Number: 801-651-0

GRADE & PURITY ≥98%

Synonyms

1242056-42-3 | 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine | C51H38N2 | SB66475 | n-(biphenyl-4-yl)-9,9-dimethyl-n-(4-(9-phenyl-9h-carbazol-3-yl)phenyl)-9h-fluoren-2-amine | A847421 | N-[[1,1'-Biphenyl]-4-yl]-9,9-dim

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Application：

N-([1,1′-biphenyl]-4-yl)-9,9-dimethyl-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-fluoren-2-amine (BCFN) is an electron-rich material, with the HOMO energy level of 5.3 eV, the LUMO energy level of 2.2 eV and high hole mobility of 5.43 × 10-5 cm2V-1s-1. As a result, it is used as a hole-transport and hole-injection material in organic light-emitting diodes. BCFN has shown its advantages in improving the hole mobility of polymer-based hole transport layer; lower driving voltage of device, better efficiency, and higher EQE due to exciplex formation by utilizing in EML; and better device lifetimes in the combination of Ir(piq)2(acac) to act as an electron scavenger layer for an reported device.

BCFN is a good morphologically stable material with Tg of 125 °C and Td of 375 °C.

With a ET of 2.58 eV, BCFN is also a very good charge transporting layer material due to its large band gap (Eg = 3.1 eV) 2 for green, red and white phosphorescent organic light-emitting diodes (PhOLEDs).

OLED Device Performance:

BCFN increase the hole transport mobility of PVK (pure PVK: 2.09×10-9 V cm-1 S-1; 30% of BCFN in PVK: 9.86×10-7 V cm-1 S-1; 50% of BCFN in PVK: 1.15×10-5 V cm-1 S-1):

1. ITO/PEDOT:PSS (40 nm)/PVK:BCFN (3:7, 20 nm)/BCFN:PFO (x:1-x, 80 nm)/CsF (1.5 nm)/Al (120 nm)

Color: Blue

BCFN in combination of ET1 to act as EML in forming exciplex and improve device performance:

2. ITO/HIL/HTL/(ET1+P1) or (ET1+BCFN+P1(doped)/ETL/ LiF/Al

Color: red

Device emission area of 81cm2, and at 1000 cd m-2, the efficiency exceeds 200 lm/W and the EQE exceeds 50 %.

lifespan@95: from 71h to 133h

BCFN in combination with Ir(piq)2(acac) as electron scavenger layer:

3. ITO/NDP series in BCFN (3wt.%, 10nm)/BCFN(160nm) or BCFN(130nm)+BCFN:Ir(piq)2(acac)(2wt.%, 10nm)+BCFN(20)/ [Ir(TMSBppy)ppy2]:BPTZBC (10 wt.%, 40nm))/ TPBi:Liq (1:1 wt. % ratio, 36nm)/ Liq (0.1nm)/Al (60 nm)

Color: yellow

Efficiencies are not affected.

lifespan@95: from 71h to 133h

Specifications

Synonyms

1242056-42-3 | 9, 9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine | C51H38N2 | SB66475 | n-(biphenyl-4-yl)-9, 9-dimethyl-n-(4-(9-phenyl-9h-carbazol-3-yl)phenyl)-9h-fluoren-2-amine | A847421 | N-[[1, 1'-Biphenyl]-4-yl]-9, 9-dim

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201882
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201882
• Canonical Smiles: CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C
• IUPAC Name: 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• InChIKey: GJWBRYKOJMOBHH-UHFFFAOYSA-N
• INCHI: 1S/C51H38N2/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39/h3-34H,1-2H3
• Isomeric SMILES: CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C
• Molecular Weight: 678.86
• Reaxy-Rn: 23350798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23350798&ln=

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: Fluorenes Carbazoles Biphenyls and derivatives Phenylpyrroles Indoles Aniline and substituted anilines Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tertiary aromatic amine - Carbazole - Fluorene - Biphenyl - 1-phenylpyrrole - Indole - Indole or derivatives - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - 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

• Sensitivity: light sensitive
• Melt Point(°C): 156 °C
• Molecular Weight: 678.900 g/mol
• XLogP3: 14.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 678.303 Da
• Monoisotopic Mass: 678.303 Da
• Topological Polar Surface Area: 8.200 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1180.000
• 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