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Merck
CN

900854

FBR

别名:

5,5′-[(9,9-Dioctyl-9H-fluorene-2,7-diyl)bis(2,1,3-benzothiadiazole-7,4-diylmethylidyne)]bis[3-ethyl-2-thioxo-4-thiazolidinone]

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关于此项目

经验公式（希尔记法）:
C53H56N6O2S6
化学文摘社编号:
1644381-95-2
分子量:
1001.44
MDL number:
MFCD31619165
UNSPSC Code:
12352101
NACRES:
NA.23

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InChI key

OLBOENQKGKQCJD-XOTMQJHLSA-N

InChI

1S/C53H56N6O2S6/c1-5-9-11-13-15-17-27-53(28-18-16-14-12-10-6-2)41-29-33(37-23-21-35(45-47(37)56-66-54-45)31-43-49(60)58(7-3)51(62)64-43)19-25-39(41)40-26-20-34(30-42(40)53)38-24-22-36(46-48(38)57-67-55-46)32-44-50(61)59(8-4)52(63)65-44/h19-26,29-32H,5-18,

SMILES string

S1\C(=C/c2c3n[s]nc3c(cc2)c4cc5c(cc4)c6c(cc(cc6)c7c8n[s]nc8c(cc7)\C=C9/SC(=S)N(C/9=O)CC)C5(CCCCCCCC)CCCCCCCC)\C(=O)N(C1=S)CC

description

Band gap: 1.59 eV

assay

≥97%

form

solid

solubility

chlorobenzene: soluble, chloroform: soluble, dichlorobenzene: soluble

orbital energy

HOMO -5.61 eV , LUMO -4.02 eV 

Quality Level

100

相关类别

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

法规信息

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分析证书(COA)

Lot/Batch Number
MKCF4361

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Derya Baran et al.
Nature materials, 16(3), 363-369 (2016-11-22)
Technological deployment of organic photovoltaic modules requires improvements in device light-conversion efficiency and stability while keeping material costs low. Here we demonstrate highly efficient and stable solar cells using a ternary approach, wherein two non-fullerene acceptors are combined with both
Sarah Holliday et al.
Journal of the American Chemical Society, 137(2), 898-904 (2014-12-30)
A novel small molecule, FBR, bearing 3-ethylrhodanine flanking groups was synthesized as a nonfullerene electron acceptor for solution-processed bulk heterojunction organic photovoltaics (OPV). A straightforward synthesis route was employed, offering the potential for large scale preparation of this material. Inverted

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