Cas no 646033-80-9 (Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris-)

Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris- structure
646033-80-9 structure
Product Name:Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris-
CAS No:646033-80-9
MF:C42H33N3
MW:579.731529951096
CID:422423
Update Time:2024-01-29

Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris- Chemical and Physical Properties

Names and Identifiers

    • Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris-
    • Pyridine, 2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris- (9CI)
    • Inchi: 1S/C42H33N3/c1-28-13-19-31(20-14-28)37-40(34-10-4-7-25-43-34)38(32-21-15-29(2)16-22-32)42(36-12-6-9-27-45-36)39(33-23-17-30(3)18-24-33)41(37)35-11-5-8-26-44-35/h4-27H,1-3H3
    • InChI Key: XRSGVUIKCDAHAP-UHFFFAOYSA-N
    • SMILES: C1(C2=C(C3=NC=CC=C3)C(C3=CC=C(C)C=C3)=C(C3=NC=CC=C3)C(C3=CC=C(C)C=C3)=C2C2=NC=CC=C2)=CC=C(C)C=C1

Computed Properties

  • Exact Mass: 579.26769

Experimental Properties

  • Density: 1.137±0.06 g/cm3(Predicted)
  • Melting Point: 305 °C (decomp)
  • Boiling Point: 578.9±45.0 °C(Predicted)
  • PSA: 38.67
  • pka: 4.77±0.50(Predicted)

Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris- Related Literature

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