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Chemical structure of D149 Dye

GC35796

D149 Dye

Also known as 2-[(2E,5Z)-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

D149 Dye is an indoline-based dye, which is a high-extinction-coefficient metal-free organic sensitizer

ChemicalCAS786643-20-7MW741.94FormulaC42H35N3O4S3
CAS number
786643-20-7
Molecular weight
741.94
Formula
C42H35N3O4S3
Solubility
DMSO： 1 mg/mL (1·35 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
OZFUEQNYOBIXTB-SJIUXOFISA-N
Catalogue number
GC35796
Brand
GLPBIO
Computed properties PubChem CID 58239565 · XLogP 9.7 · TPSA 164 Ų · H-bond donors 1
XLogP
9.7
TPSA
164 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
52

SMILES CCN1C(=O)/C(=C\2/N(C(=O)/C(=C/C3=CC4=C(C=C3)N(C5C4CCC5)C6=CC=C(C=C6)C=C(C7=CC=CC=C7)C8=CC=CC=C8)/S2)CC(=O)O)/SC1=S

Computed descriptors from PubChem (CID 58239565), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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