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CAS 160848-22-6

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Phenyl-C61-butyric acid methyl ester

Description:
Phenyl-C61-butyric acid methyl ester (PCBM) is a fullerene derivative, specifically a methoxycarbonyl derivative of C60, which is a spherical molecule composed of 60 carbon atoms. It is characterized by its unique structure, which includes a phenyl group and a butyric acid moiety attached to the fullerene core. PCBM is known for its excellent electron-accepting properties, making it a crucial component in organic photovoltaic devices and organic solar cells. Its solubility in organic solvents facilitates its incorporation into various polymer blends, enhancing the efficiency of charge separation and transport in these materials. Additionally, PCBM exhibits good thermal stability and photochemical properties, contributing to its effectiveness in light-harvesting applications. The compound is typically used in conjunction with electron-donating polymers to create bulk heterojunction solar cells, where it plays a vital role in improving the overall power conversion efficiency. Its unique electronic properties and compatibility with various organic materials make it a significant subject of research in the field of organic electronics.
Formula:C72H14O2
InChI:InChI=1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-58-50-40-30-22-14-12-13-16-20-18(14)26-34-28(20)38-32-24(16)25-17(13)21-19-15(12)23(22)31-37-27(19)35-29(21)39-33(25)43-42(32)52-46(38)56-48(34)54(44(50)36(26)30)62(66)64(56)68-60(52)61-53(43)47(39)57-49(35)55-45(37)51(41(31)40)59(58)67(71)63(55)65(57)69(61)72(68,70)71/h2-4,6-7H,5,8-9H2,1H3
InChI key:InChIKey=FIGVSQKKPIKBST-UHFFFAOYSA-N
SMILES:C(CCC(OC)=O)C1(C23C14C=5C=6C=7C2=C8C9=C3C=%10C=%11C4=C%12C5C%13=C%14C6C=%15C7C%16=C8C=%17C%18=C9C=%19C%10C=%20C%11C=%21C%12=C%22C%13=C%23C%14=C%24C%15C%25=C%16C%17C=%26C%27=C%18C%19C=%28C%20C=%29C%21C%22=C%30C%23=C%31C%24=C%25C%26C%32=C%27C%28C%29C%30=C%31%32)C%33=CC=CC=C%33
Synonyms:
  • (6,6)-Phenyl-C61 butyrie acid methyl ester
  • (6,6)-phenyl-C61 butyric acid methyl ester,mixture of isomer
  • 1-[3-(Methoxycarbonyl)propyl]-1-phenyl-(6,6)C<sub>61</sub>
  • 3′H-Cyclopropa[1,9][5,6]fullerene-C<sub>60</sub>-I<sub>h</sub>-3′-butanoic acid, 3′-phenyl-, methyl ester
  • Ads 61Bfa
  • E 100
  • E 100 (fullerene)
  • E 100H
  • Fullerene ([6,6]-phenyl C71-butyric acid methyl ester
  • Lt-S905
  • See more synonyms
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