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  • Benzoic acid, 4,4'-[2,8-bis(1,1-dimethylethyl)-4,10-dihydropyreno[4,5-d:9,10-d']diimidazole-5,11-diyl]bis-

  • Benzoic acid, 4,4'-[2,8-bis(1,1-dimethylethyl)-4,10-dihydropyreno[4,5-d:9,10-d']diimidazole-5,11-diyl]bis-

    Catalog Number
    ACM1184934211-1
    CAS Number
    1184934-21-1
    Product Name
    Benzoic acid, 4,4'-[2,8-bis(1,1-dimethylethyl)-4,10-dihydropyreno[4,5-d:9,10-d']diimidazole-5,11-diyl]bis-
    Category
    Customizable MOF Linkers
    Synonyms
    4,4'-(2,8-di-tert-butyl-4,10-dihydropyreno[4,5-d:9,10-d']diimidazole-5,11-diyl)dibenzoic acid
    IUPAC Name
    4-[9,19-ditert-butyl-14-(4-carboxyphenyl)-3,5,13,15-tetrazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),3,7(22),8,10,12(16),13,17(21),18-decaen-4-yl]benzoic acid
    Molecular Weight
    634.72
    Molecular Formula
    C40H34N4O4
    InChI
    InChI=1S/C40H34N4O4/c1-39(2,3)23-15-25-29-26(16-23)32-34(44-36(42-32)20-9-13-22(14-10-20)38(47)48)28-18-24(40(4,5)6)17-27(30(28)29)33-31(25)41-35(43-33)19-7-11-21(12-8-19)37(45)46/h7-18H,1-6H3,(H,41,43)(H,42,44)(H,45,46)(H,47,48)
    InChI Key
    NHSRBVGDTMJTJK-UHFFFAOYSA-N
    Purity
    95%
    Complexity
    1130
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    634.25800558g/mol
    Formal Charge
    0
    Heavy Atom Count
    48
    Hydrogen Bond Acceptor Count
    6
    Hydrogen Bond Donor Count
    4
    Isotope Atom Count
    0
    Monoisotopic Mass
    634.25800558g/mol
    Particle Size
    less than 10nm
    Rotatable Bond Count
    6
    Topological Polar Surface Area
    132Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    8.4
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