CAS 160848-22-6 [60]PCBM (6,6)-Phenyl-C61 Butyric Acid Methyl Ester

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

Complexity

4190

Covalently-Bonded Unit Count

Exact Mass

910.09938g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

910.09938g/mol

Rotatable Bond Count

Application

[60]PCBM, or (6,6)-Phenyl-C61 Butyric Acid Methyl Ester, is a methanofullerene characterized by its superior solubility and enhanced diffusion within organic molecules compared to traditional fullerenes (C60). It stands out as a typical n-type organic semiconductor with high electron mobility, making it an ideal electron acceptor in various electrochemical contexts. This attribute, combined with its cost-effectiveness and large surface area, makes [60]PCBM a preferred electron transport material across a range of energy-focused applications, including organic photovoltaics (OPVs), perovskite solar cells (PSCs), field-effect transistors (FETs), and photodetectors.

February 7, 2025

Exceptional n-type Semiconductor for Research

I've utilized [60]PCBM in my solar cell research. Its high electron mobility and improved diffusion significantly enhanced the electron transport, proving it indispensable in developing efficient OPVs. An outstanding, cost-effective choice for advanced applications.