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关于此项目
经验公式(希尔记法):
C82H86F4N8O2S5
化学文摘社编号:
分子量:
1451.93
MDL number:
UNSPSC Code:
32111701
NACRES:
NA.21
assay
≥99% (H-NMR)
Quality Segment
color
black
solubility
chloroform: soluble
λmax
731 nm in chloroform (UV)
orbital energy
HOMO - 5.65 eV , LUMO - 4.1 eV
storage temp.
room temp
SMILES string
Fc1cc2c(cc1F)C(=C(C#N)C#N)\C(=C\c3[s]c4c([s]c5c4[n](c6c7[n](c8c([s]c%10c8[s]c(c%10CCCCCCCCCCC)\C=C%11/C(=O)c%12c(cc(c(c%12)F)F)C/%11=C(C#N)C#N)c7c9n[s]nc9c65)CC(CCCC)CC)CC(CCCC)CC)c3CCCCCCCCCCC)\C2=O
InChI
1S/C82H86F4N8O2S5/c1-7-13-17-19-21-23-25-27-29-33-51-63(39-57-65(49(41-87)42-88)53-35-59(83)61(85)37-55(53)75(57)95)97-81-73-79(99-77(51)81)67-69-70(92-101-91-69)68-72(71(67)93(73)45-47(11-5)31-15-9-3)94(46-48(12-6)32-16-10-4)74-80(68)100-78-52(34-30-28-2
InChI key
XJRVXAOYOOOQLU-LAGONYLDSA-N
Application
Y6 (BTP-4F) is a popular non-fullerene acceptor (NFA) molecule for use in Organic Photovoltaic (OPV) given its contribution to device power conversion efficiencies (PCEs). Also known BTP-4F, Y6 is a highly conjugated electron deficient organic semiconductor with an A-DAD-A structure. The absorption spectrum of Y6 molecule has a maximum at around 810 nm and extends to 1100 nm. This means that Y6 and its polymer blends have the potential to absorb light across the entire visible and near infra-red spectrum.
存储类别
11 - Combustible Solids
flash_point_f
Not applicable
flash_point_c
Not applicable