Cas no 921205-02-9 (TpPyPB)

TpPyPB structure
TpPyPB structure
Product Name:TpPyPB
CAS No:921205-02-9
MF:C39H27N3
MW:537.651788949966
CID:997976
PubChem ID:46241684
Update Time:2024-10-26

TpPyPB Chemical and Physical Properties

Names and Identifiers

    • 3,3'-(5'-(4-(Pyridin-3-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)dipyridine
    • 3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
    • 3,3′-[5′-[4-(3-Pyridinyl)phenyl][1,1′:3′,1′′-terphenyl]-4,4′′-diyl]bis[pyridine] (ACI)
    • 1,3,5-Tri(4-pyrid-3-ylphenyl)benzene
    • 1,3,5-Tri(p-pyrid-3-ylphenyl)benzene
    • TpPyPB
    • 921205-02-9
    • 1,3,5-Tri(p-pyrid-3-yl-phenyl)benzene
    • 1,3,5-Tri(m-pyridin-3-ylphenyl)benzene
    • SCHEMBL1834445
    • 3,3?-[5?-[3-(3-pyridinyl)phenyl][1,1?:3?,1??-terphenyl]-3,3??-diyl]bispyridine
    • 3-{4-[4'-(PYRIDIN-3-YL)-5-[4-(PYRIDIN-3-YL)PHENYL]-[1,1'-BIPHENYL]-3-YL]PHENYL}PYRIDINE
    • BS-49896
    • MFCD27923078
    • YSCK0539
    • 1,3,5-Tris(3-pyridyl-3-phenyl)benzene
    • TpPyPB , 1,3,5-tri(p-pyrid-3-yl-phenyl)benzene
    • Tm3PyP
    • E73960
    • DTXSID50673182
    • Inchi: 1S/C39H27N3/c1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36/h1-27H
    • InChI Key: ACSHDTNTFKFOOH-UHFFFAOYSA-N
    • SMILES: N1C=C(C2C=CC(C3C=C(C4C=CC(C5C=CC=NC=5)=CC=4)C=C(C4C=CC(C5C=CC=NC=5)=CC=4)C=3)=CC=2)C=CC=1

Computed Properties

  • Exact Mass: 537.22000
  • Monoisotopic Mass: 537.220497874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 6
  • Complexity: 673
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.5
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.67000
  • LogP: 9.87360

TpPyPB Pricemore >>

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TpPyPB Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  18 h, reflux
Reference
Octahedral [Pd6L8]12+ Metallosupramolecular Cages: Synthesis, Structures and Guest-Encapsulation Studies
Kim, Tae Y.; Digal, Lori; Gardiner, Michael G. ; Lucas, Nigel T. ; Crowley, James D., Chemistry - A European Journal, 2017, 23(60), 15089-15097

TpPyPB Raw materials

TpPyPB Preparation Products

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