2,2'-((2Z,2'Z)-((12,13-Bis(2-ethylhexyl)-3,9-bis(2-octyldodecyl)-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-g]thieno[2',3':4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile

Name: 2,2'-((2Z,2'Z)-((12,13-Bis(2-ethylhexyl)-3,9-bis(2-octyldodecyl)-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-g]thieno[2',3':4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile
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CAS No. 2668341-42-0
Cat. No. CS-0618273
Molecule weight1704.41
Purity≥98%
MDL No.None

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2,2'-((2Z,2'Z)-((12,13-Bis(2-ethylhexyl)-3,9-bis(2-octyldodecyl)-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-g]thieno[2',3':4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile|CS-0618273

Structure of 2668341-42-0

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General Information

CAS No. 2668341-42-0
Cat. No. CS-0618273
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀₀H₁₂₂F₄N₈O₂S₅
Molecular Weight 1704.41
Synonym(s) None
SMILES N#C/C(C#N)=C1\C(C(C2=CC(F)=C(C=C21)F)=O)=C\C3=C(CC(CCCCCCCCCC)CCCCCCCC)C(SC4=C5N(CC(CCCC)CC)C6=C4C7=NSN=C7C8=C6N(CC(CCCC)CC)C9=C8SC%10=C9SC(/C=C%11C(C%12=CC(F)=C(C=C%12C\%11=C(C#N)\C#N)F)=O)=C%10CC(CCCCCCCCCC)CCCCCCCC)=C5S3

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 164.94
LogP 32.4902
H_Acceptors 15
H_Donors 0
Rotatable_Bonds 50

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ketone

Building Blocks Functional Group Olefins

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Building Blocks Skeleton Aromatic ring compounds Other aromatic rings compounds

Material Science Solar Cell Materials Organic Photovoltaic OPV

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2,2'-((2Z,2'Z)-((12,13-Bis(2-ethylhexyl)-3,9-bis(2-octyldodecyl)-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-g]thieno[2',3':4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile

CAS No. 2668341-42-0