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D 131

CAT: 0013-GTR19340033-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19340033-01Size:2 mg
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Description
D131 is an orange indoline organic dye with a solution absorption maximum at 425 nm. It is widely employed as a sensitizer in dye-sensitized solar cells, supporting research in photovoltaics and renewable energy. Its photochemical properties are studied in vitro for optoelectronic device optimization.
CAS Number
652145-29-4
Purity
98.34% (May vary between batches)
Molecular Weight
508.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-2-Cyano-3-(4-(4-(2,2-diphenylvinyl)phenyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)acrylic acid
CAS Number652145-29-4
PubChem CID57937197
IUPAC Name(E)-2-cyano-3-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]prop-2-enoic acid
Molecular FormulaC35H28N2O2
Molecular Weight508.6
XLogP8.4
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity950
SMILES
C1CC2C(C1)N(C3=C2C=C(C=C3)/C=C(\C#N)/C(=O)O)C4=CC=C(C=C4)C=C(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C35H28N2O2/c36-23-28(35(38)39)20-25-16-19-34-32(22-25)30-12-7-13-33(30)37(34)29-17-14-24(15-18-29)21-31(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,14-22,30,33H,7,12-13H2,(H,38,39)/b28-20+
InChIKey
GOTRYMLNXIJMCB-VFCFBJKWSA-N
Chemical Structure
2D Structure
2D structure of (E)-2-Cyano-3-(4-(4-(2,2-diphenylvinyl)phenyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)acrylic acid
CAS: 652145-29-4
CID: 57937197
Formula: C35H28N2O2
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP38.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass508.215078140
Monoisotopic Mass508.215078140
Topological Polar Surface Area64.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity950
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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