CAS 1207638-53-6 D358 Dye - Materials / Alfa Chemistry

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D358 Dye

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Catalog Number

ACM1207638536-2

Product Name

D358 Dye

Structure

CAS

1207638-53-6

Category

Organic Solar Cell (OPV) Materials

Synonyms

5-[3-(Carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopent[b]indol-7-yl]methylene]-4-oxo-2-thiazoli dinylidene]-4-oxo-2-thioxo-3-thiazolidinedodecanoic acid

IUPAC Name

12-[(5E)-5-[(5E)-3-(carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid

Molecular Weight

912.2g/mol

Molecular Formula

C52H53N3O6S3

Canonical SMILES

S=C(S/C1=C2N(CC(O)=O)C(/C(S\2)=C\C(C=C3)=CC4=C3N(C5=CC=C(C=C(C6=CC=CC=C6)C7=CC=CC=C7)C=C5)C8C4CCC8)=O)N(CCCCCCCCCCCC(O)=O)C1=O

InChI

1S/C52H53N3O6S3/c56-46(57)23-14-6-4-2-1-3-5-7-15-30-53-50(61)48(64-52(53)62)51-54(34-47(58)59)49(60)45(63-51)33-36-26-29-44-42(32-36)40-21-16-22-43(40)55(44)39-27-24-35(25-28-39)31-41(37-17-10-8-11-18-37)38-19-12-9-13-20-38/h8-13,17-20,24-29,31-33,40,43H,1-7,14-16,21-23,30,34H2,(H,56,57)(H,58,59)/b45-33+,51-48+

InChI Key

HXSDFCKKOUCOIZ-DOESQJKTSA-N

Application

Photosensitive Red-Violet dye having excellent photoelectric conversion efficiency as a metal-free dye. Efficiency of DSSC device - η > 6.7%Cell area: 0.25 cm² (0.5 cm × 0.5 cm)TiO₂ Thickness: 5 μmTiO₂: screen printingElectrolyte: 0.1 M LiI; 0.05 M I2; 0.6 M Dimethyl propylimidazoliumIodide; 0.05 M t-Butylpyridine in 3-MethoxypropionitrileLight source: AM1.5Counter Electrode: Pt/Cr spatter glassDye adsorption: 30 °C/ in 3 hr. (t-BuOH/acetonitrile soln.)

Storage

room temp

Complexity

1760

Covalently-Bonded Unit Count

Exact Mass

911.30965g/mol

Formal Charge

Heavy Atom Count

MDL Number

MFCD28053536

Monoisotopic Mass