CAS 609771-63-3 PC71Bm; PCBm(C70); [6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers, >99% (HPLC)

NAVIGATION

PC71Bm; PCBm(C70); [6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers, >99% (HPLC)

PRICE INQUIRY

Catalog Number

ACM609771633-4

CAS Number

609771-63-3

Product Name

PC71Bm; PCBm(C70); [6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers, >99% (HPLC)

Structure

Category

Other Materials

Molecular Weight

1031g/mol

Molecular Formula

C82H14O2

Canonical SMILES

COC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C%10=C%11C9=C9C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C%27C%28=C(C%14=C%14C%12=C%11C%11=C%14C%28=C%26C%12=C%11C%10=C%10C%12=C%25C%23=C%11C%10=C1C7=C%11C%22=C6C4=C%21C%19=C2C%17=C1C%15=C%13C2=C9C8=C5C2=C31)C%16=C%18C%27=C%24%20)C1=CC=CC=C1

InChI

InChI=1S/C82H14O2/c1-84-11(83)8-5-9-80(10-6-3-2-4-7-10)81-76-68-60-50-40-33-24-18-12-13-15-17-16-14(12)20-27-22(16)31-32-23(17)28-21(15)30-26(19(13)24)35-41(33)51(50)61-55-45(35)37(30)47-39(28)49-43(32)53-52-42(31)48-38(27)46-36-29(20)25(18)34(40)44(36)54(60)64-58(46)66-56(48)62(52)70-71-63(53)57(49)67-59(47)65(55)73(77(81)69(61)68)75(67)79(71)82(80,81)78(70)74(66)72(64)76/h2-4,6-7H,5,8-9H2,1H3

InChI Key

AZSFNTBGCTUQFX-UHFFFAOYSA-N

Application

PC71Bm, also known as (6,6)-Phenyl C71 butyric acid methyl ester or PCBM(C70), is a light brown to black solid utilized primarily as an electron acceptor in the fabrication of polymeric solar cells. Its primary function is in combination with various electron donors, such as P3HT and MDMO-PPV, to achieve a high power conversion efficiency (PCE) in solar cells, due to its stronger absorption in the visible range compared to C60. Additionally, PC71Bm finds applications in organic field effect transistors (OFETs). Its classification as a methanofullerene highlights its role in enhancing the performance of bulk heterojunction solar cells, making it a valuable component in the creation of efficient photovoltaic devices.

Complexity

4760

Covalently-Bonded Unit Count

Exact Mass

1030.09938g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

1030.09938g/mol

Rotatable Bond Count

XLogP3

21.4