2,5-DI-(2-ETHYLHEXYL)-3,6-BIS-(5''-N-HEXYL-[2,2',5',2'']TERTHIOPHEN-5-YL)-PYRROLO[3,4-C]PYRROLE-1,4-DIONE

CAS No.
1093468-95-1
CCD No.
CCD03028124
Formula
C58 H72 N2 O2 S6
MolWeight
1021.61

Basic Information

Product Name: 2,5-DI-(2-ETHYLHEXYL)-3,6-BIS-(5''-N-HEXYL-[2,2',5',2'']TERTHIOPHEN-5-YL)-PYRROLO[3,4-C]PYRROLE-1,4-DIONE
CAS: 1093468-95-1
English Synonyms: 2,5-BIS(2-ETHYLHEXYL)-3,6-BIS(5''-HEXYL[2,2':5',2''-TERTHIOPHEN]-5-YL)-2,5-DIHYDROPYRROLO[3,4-C]PYRROLE-1,4-DIONE ; SMDPPEH ; 2,5-DI-(2-ETHYLHEXYL)-3,6-BIS-(5''-N-HEXYL-[2,2',5',2'']TERTHIOPHEN-5-YL)-PYRROLO[3,4-C]PYRROLE-1,4-DIONE
MDL Number.: MFCD16621139
H bond acceptor: 4
H bond donor: 0
Smile: CCCCCCc1ccc(s1)c2ccc(s2)c3ccc(s3)C4=C5C(=C(N(C5=O)CC(CC)CCCC)c6ccc(s6)c7ccc(s7)c8ccc(s8)CCCCCC)C(=O)N4CC(CC)CCCC
InChi: InChI=1S/C58H72N2O2S6/c1-7-13-17-19-23-41-25-27-43(63-41)45-29-31-47(65-45)49-33-35-51(67-49)55-53-54(58(62)59(55)37-39(11-5)21-15-9-3)56(60(57(53)61)38-40(12-6)22-16-10-4)52-36-34-50(68-52)48-32-30-46(66-48)44-28-26-42(64-44)24-20-18-14-8-2/h25-36,39-40H,7-24,37-38H2,1-6H3
InChiKey: InChIKey=GLHOKMYMUKAXAC-UHFFFAOYSA-N

Property

Comments: FORM: SUBLIMED
LOSS: 0.5 WT% TGA, 370 DEG C
OPV DEVICE PERFORMANCE: ITO/PEDOT:PSS/SMDPPEH:PC71BM (1:1)/AL1. SHORT-CIRCUIT CURRENT DENSITY (JSC): 9.2 MA/CM2. OPEN-CIRCUIT VOLTAGE (VOC): 0.75 V. FILL FACTOR (FF): 0.44. POWER CONVERSION EFFICIENCY (PCE): 3 %
OPV DEVICE PERFORMANCE: ITO/PEDOT:PSS/SMDPPEH:PC71BM (3:7)/AL1. SHORT-CIRCUIT CURRENT DENSITY (JSC): 7.7 MA/CM2. OPEN-CIRCUIT VOLTAGE (VOC): 0.72 V. FILL FACTOR (FF): 0.41. POWER CONVERSION EFFICIENCY (PCE): 2.4 %
OPV DEVICE PERFORMANCE: ITO/PEDOT:PSS/SMDPPEH:PC71BM (7:3)/AL1. SHORT-CIRCUIT CURRENT DENSITY (JSC): 8.7 MA/CM2. OPEN-CIRCUIT VOLTAGE (VOC): 0.72 V. FILL FACTOR (FF): 0.35. POWER CONVERSION EFFICIENCY (PCE): 2.2 %
ORBITAL ENERGY: HOMO 5.2 EV
ORBITAL ENERGY: LUMO 3.7 EV
SEMICONDUCTOR PROPERTIES: P-TYPE (MOBILITYAPPROX 10-4 CM2/V S)
UV ABSORPTION: 644 NM IN METHYLENE CHLORIDE
WGK: 3

Safety information

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