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Home > Encyclopedia > 3,3'-Bis(N-carbazolyl)-1,1'-biphenyl

3,3'-Bis(N-carbazolyl)-1,1'-biphenyl

3,3'-Bis(N-carbazolyl)-1,1'-biphenyl structure

3,3'-Bis(N-carbazolyl)-1,1'-biphenyl 

structure
  • CAS No:

    342638-54-4

  • Formula:

    C36H24N2

  • Chemical Name:

    3,3'-Bis(N-carbazolyl)-1,1'-biphenyl

  • Synonyms:

    MCBP;3,3-Di(9H-carbazol-9-yl)biphenyl.;MCBP, 3,3'-bis(carbazol-9-yl)biphenyl;3,3'-Bis(N-carbazolyl)-1,1'-biphenyl;9,9'-Biphenyl-3,3'-diylbis-9H-carbazole;3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl;3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl;3,3'-Bis(carbazol-9-yl)biphenyl

  • Categories:

    Pharmaceutical Intermediates  >  Oled Material Intermediate

3,3'-Bis(N-carbazolyl)-1,1'-biphenyl Basic Attributes

484.58916

484.193939

Characteristics

9.9

9.7

1.19±0.1 g/cm3

270℃ (chloroformligroine )

732.3±60.0°C at 760 mmHg

396.7±32.9 °C

1.697

Safety Information

P280, P305+P351+P338, P310

H318

|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

3,3'-Bis(N-carbazolyl)-1,1'-biphenyl Use and Manufacturing

Potassium tertbutoxide (1.12 g, 10 mmol) and carbazole (1.67 g, 10 mmol) were added to appropriate dihalobiphenyl 1 (1 mmol) in dry toluene (20 mL). The mixture was heated in a glass autoclave under argon at 130—140 C for 48 h.The resulting suspension was diluted with water to remove inorganic impurities. The organic layer was separated, concentrated to dryness, and chromatographed on silica gel using a 0—10percent acetone solution in hexane. 4, 4'-Bis(9Hcarbozol-9-yl)-1, 1'biphenyl (2a), the yield was 0.43 g (90percent), m.p. >250 C. Found (percent): C, 89.08; H, 4.84.C36H24N2. Calculated (percent): C, 89.23; H, 4.99. 1H NMR (DMSOd6), : 8.28 (m, 4 H); 8.09 (m, 4 H); 7.80 (m, 4 H);7.47—7.50 (m, 8 H); 7.26—7.28 (m, 4 H). ESIMS, m/z (Irel (percent)):485.20 [M + H]+ (100).General procedure: Potassium tertbutoxide (1.12 g, 10 mmol) and carbazole (1.67 g, 10 mmol) were added to appropriate dihalobiphenyl 1 (1 mmol) in dry toluene (20 mL). The mixture was heated in a glass autoclave under argon at 130—140 C for 48 h.The resulting suspension was diluted with water to remove inorganic impurities. The organic layer was separated, concentrated to dryness, and chromatographed on silica gel using a 0—10percent acetone solution in hexane.

Computed Properties

Molecular Weight:484.6
XLogP3:9.7
Rotatable Bond Count:3
Exact Mass:484.193948774
Monoisotopic Mass:484.193948774
Topological Polar Surface Area:9.9
Heavy Atom Count:38
Complexity:699
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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