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  • MOFs and COFs Compound
  • Organic-Linker Blocks-Tetra-Substituted TPE
  • MOF&4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis(N,N-diphenyl-[1,1'-biphenyl]-4-amine)

  • MOF&4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis(N,N-diphenyl-[1,1'-biphenyl]-4-amine)

    Catalog Number
    ACMA00021236
    Product Name
    MOF&4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis(N,N-diphenyl-[1,1'-biphenyl]-4-amine)
    Category
    Organic-Linker Blocks-Tetra-Substituted TPE
    IUPAC Name
    N,N-diphenyl-4-[4-[1,2,2-tris[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
    Molecular Weight
    1305.6g/mol
    Molecular Formula
    C98H72N4
    InChI
    InChI=1S/C98H72N4/c1-9-25-85(26-10-1)99(86-27-11-2-12-28-86)93-65-57-77(58-66-93)73-41-49-81(50-42-73)97(82-51-43-74(44-52-82)78-59-67-94(68-60-78)100(87-29-13-3-14-30-87)88-31-15-4-16-32-88)98(83-53-45-75(46-54-83)79-61-69-95(70-62-79)101(89-33-17-5-18-34-89)90-35-19-6-20-36-90)84-55-47-76(48-56-84)80-63-71-96(72-64-80)102(91-37-21-7-22-38-91)92-39-23-8-24-40-92/h1-72H
    InChI Key
    VEBOVVTUHBQNPW-UHFFFAOYSA-N
    Complexity
    1970
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    1305.57905315g/mol
    Formal Charge
    0
    Heavy Atom Count
    102
    Hydrogen Bond Acceptor Count
    4
    Hydrogen Bond Donor Count
    0
    Isotope Atom Count
    0
    Monoisotopic Mass
    1304.57569831g/mol
    Rotatable Bond Count
    20
    Single Layer Ratio
    ~99%
    Topological Polar Surface Area
    13Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    27.4
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