N,N′-Di(1-naphthyl)-N,N′-diphenyl-(1,1′-biphenyl)-4,4′-diamine - sublimed grade, ≥99% , CAS No.123847-85-8

CAS: 123847-85-8 Cat. No.: N105656 Peso molecular: 588.74

GRADE & PURITY Sublimed grade, ≥99%

Synonyms

NPB | NPD | N,N'-Biphenyl-N,N'-bis-(1-naphthenyl)-[1,1'-biphenyl]-4,4'-diamine | N,N'-Di(1-naphthyl)-N,N'-diphenyl-(1,1'-biphenyl)-4,4'-diamine, 96% | MFCD03093246 | N,N'-di(l-naphthyl)-N,N'-diphenyl-4,4'-diaminobiphenyl | N4,N4'-Di(1-naphthyl)-N4,N4'-dip

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Usually Hole transporting material for OLED devices.

Specifications

Sinónimos

NPB | NPD | N, N'-Biphenyl-N, N'-bis-(1-naphthenyl)-[1, 1'-biphenyl]-4, 4'-diamine | N, N'-Di(1-naphthyl)-N, N'-diphenyl-(1, 1'-biphenyl)-4, 4'-diamine, 96% | MFCD03093246 | N, N'-di(l-naphthyl)-N, N'-diphenyl-4, 4'-diaminobiphenyl | N4, N4'-Di(1-naphthyl)-N4, N4'-dip

Especificaciones y pureza

sublimed grade, ≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Grado

Sublimed grade

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488195073
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195073
• Sonrisas canónicas: C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87
• IUPAC Name: N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
• InChIKey: IBHBKWKFFTZAHE-UHFFFAOYSA-N
• INCHI: 1S/C44H32N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32H
• Isómeros SMILES: C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87
• WGK Alemania: 3
• Peso molecular: 588.74
• Reaxy-Rn: 8022378
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8022378&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Biphenyls and derivatives Naphthalenes Aniline and substituted anilines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tertiary aromatic amine - Biphenyl - Naphthalene - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de ebullición (°C): 772.5ºC
• Punto de fusión (°C): 279-283°C
• Peso molecular: 588.700 g/mol
• XLogP3: 12.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 588.257 Da
• Monoisotopic Mass: 588.257 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 829.000
• 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