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:
分子量:
1001.44
MDL number:
UNSPSC Code:
12352101
NACRES:
NA.23
description
Band gap: 1.59 eV
Quality Segment
assay
≥97%
form
solid
solubility
chlorobenzene: soluble, chloroform: soluble, dichlorobenzene: soluble
orbital energy
HOMO -5.61 eV , LUMO -4.02 eV
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
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,
InChI key
OLBOENQKGKQCJD-XOTMQJHLSA-N
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable