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D149 Dye

Catalog Number
ACM786643207
Product Name
D149 Dye
Structure
CAS
786643-20-7
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-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-oxo-3-thiazolidineacetic acid
Description
D149 Dye is an indoline dye that has an extinction coefficient of 68700 mol-1cm. It has a high conversion efficiency and can be used as a sensitizer.
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-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
Molecular Weight
741.9g/mol
Molecular Formula
C42H35N3O4S3
Canonical SMILES
CCN1C(=S)SC(\C1=O)=C2\SC(=C/c3ccc4N(C5CCCC5c4c3)c6ccc(cc6)\C=C(\c7ccccc7)c8ccccc8)\C(=O)N2CC(O)=O
InChI
1S/C42H35N3O4S3/c1-2-43-40(49)38(52-42(43)50)41-44(25-37(46)47)39(48)36(51-41)24-27-18-21-35-33(23-27)31-14-9-15-34(31)45(35)30-19-16-26(17-20-30)22-32(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,16-24,31,34H,2,9,14-15,25H2,1H3,(H,46,47)/b36-24-,41-38+
InChI Key
OZFUEQNYOBIXTB-SJIUXOFISA-N
Melting Point
284-289 °C
Application
D149 dye can be used as an organic dye to enhance the absorption of dye sensitized solar cells (DSSCs).
Storage
room temp
Complexity
1480
Covalently-Bonded Unit Count
1
Exact Mass
741.17897g/mol
Formal Charge
0
Heavy Atom Count
52
Monoisotopic Mass
741.17897g/mol
Packaging
100 mg in glass insert
Rotatable Bond Count
8
XLogP3
9.7
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