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  • [6,6]-Phenyl-C61-butyric Acid Methyl Ester [for organic electronics]

  • [6,6]-Phenyl-C61-butyric Acid Methyl Ester [for organic electronics]

    Catalog Number
    ACM160848226-3
    CAS Number
    160848-22-6
    Product Name
    [6,6]-Phenyl-C61-butyric Acid Methyl Ester [for organic electronics]
    Structure
    Category
    Small Molecule Semiconductor Building Blocks; Carbon Nanomaterials; Dye-Sensitized Solar Cell (DSSC) Materials; Organic Field Effect Transistor (OFET) Materials; Organic Semiconductors; Organic Solar Cell (OPV) Materials; Perovskite Solar Cell (PSC) Materials
    Molecular Weight
    910.9g/mol
    Molecular Formula
    C72H14O2
    Canonical SMILES
    COC(=O)CCCC1(C23C14C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C%10C8=C%10C%14=C%15C%16=C%17C(=C%12C%12=C%17C%17=C%18C%16=C%16C%15=C%15C%10=C1C7=C%15C1=C%16C(=C%18C7=C2C2=C%10C(=C5C9=C42)C%11=C%12C%10=C%177)C3=C16)C%14=C%138)C1=CC=CC=C1
    InChI
    InChI=1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-59-52-40-32-23-14-12-13-15-18(14)27-34(32)42-43-35(27)33-24(15)26-22-17(13)20-19-16(12)21-25(23)38(40)46-44-30(21)28(19)36-37-29(20)31(22)45-47-39(26)41(33)53-55(43)64(63(66)54(42)52)67-60(53)58(47)62-51(45)49(37)56-48(36)50(44)61(57(46)59)68(71)65(56)69(62)72(67,70)71/h2-4,6-7H,5,8-9H2,1H3
    InChI Key
    MCEWYIDBDVPMES-UHFFFAOYSA-N
    Application
    [6,6]-Phenyl-C61-butyric Acid Methyl Ester, commonly known as PCBM, plays a crucial role in the realm of organic electronics as an n-type semiconductor. Its primary purpose is to serve as an electron transport material, capitalizing on its low cost and high surface area. This fullerene derivative is instrumental in various energy-based applications, such as organic photovoltaics (OPVs), perovskite solar cells (PSCs), field-effect transistors (FETs), and photodetectors. PCBM's functionalization enhances its solubility and diffusion ability in organic molecules beyond that of standard fullerenes like C60. Renowned for its high electron mobility, PCBM acts as an efficient electron acceptor in electrochemistry and is frequently utilized for electron transmission tasks. For optimal performance in OPVs, a 99% purity of PCBM is recommended, whereas its 99.5% purity variant is preferred for organic field-effect transistor (OFET) applications, where superior crystallization and mobility are paramount.
    Complexity
    4190
    Covalently-Bonded Unit Count
    1
    Exact Mass
    910.09938g/mol
    Formal Charge
    0
    Heavy Atom Count
    74
    Monoisotopic Mass
    910.09938g/mol
    Rotatable Bond Count
    6
    XLogP3
    18.3
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