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D205 Dye

Catalog Number
ACM936336219
CAS Number
936336-21-9
Product Name
D205 Dye
Structure
Category
Organic Solar Cell (OPV) Materials
Synonyms
5-[[4-[4-(2,2-Diphenylethenyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopent[b]indol-7-yl]methylene]-2-(3-octyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-oxo-3-thiazolidineacetic acid
Description
D205 Dye is an indoline dye widely used as an organic sensitizer that can be coated on metal oxide to improve its efficiency. It is majorly used in the development of high performing energy based devices.
IUPAC Name
2-[(2Z,5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-2-(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
Molecular Weight
826.1g/mol
Molecular Formula
C48H47N3O4S3
Canonical SMILES
S=C(N(CCCCCCCC)C/1=O)SC1=C(S/C2=C\C(C=C3)=CC4=C3N(C5=CC=C(C=C(C6=CC=CC=C6)C7=CC=CC=C7)C=C5)C8C4CCC8)/N(CC(O)=O)C2=O
InChI
1S/C48H47N3O4S3/c1-2-3-4-5-6-13-27-49-46(55)44(58-48(49)56)47-50(31-43(52)53)45(54)42(57-47)30-33-23-26-41-39(29-33)37-19-14-20-40(37)51(41)36-24-21-32(22-25-36)28-38(34-15-9-7-10-16-34)35-17-11-8-12-18-35/h7-12,15-18,21-26,28-30,37,40H,2-6,13-14,19-20,27,31H2,1H3,(H,52,53)/b42-30-,47-44+
InChI Key
WZGXSNHXTGGEGJ-PHBNZWDISA-N
Melting Point
247-252 °C
Application
D205 dye is a metal-free organic dye that can be used in dye sensitized solar cells (DSSCs). It can achieve a power conversion efficiency of 9.5%.
Storage
room temp
Assay
97% (HPLC)
Complexity
1590
Covalently-Bonded Unit Count
1
Exact Mass
825.272871g/mol
Form
powder
Formal Charge
0
Heavy Atom Count
58
Monoisotopic Mass
825.272871g/mol
Packaging
100 mg in glass insert
Rotatable Bond Count
14
XLogP3
12.7
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※ Please kindly note that our products are for research use only.
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