CAS 1664293-06-4|2,2'-[[6,6,12,12-tetrakis(4-hexylphenyl)-s-indacenodithieno[3,2-b]thiophene]met

Introduction：Basic information about CAS 1664293-06-4|2,2'-[[6,6,12,12-tetrakis(4-hexylphenyl)-s-indacenodithieno[3,2-b]thiophene]met, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	2,2'-[[6,6,12,12-tetrakis(4-hexylphenyl)-s-indacenodithieno[3,2-b]thiophene]methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis(propanedinitrile)
CAS Number	1664293-06-4	Molecular Weight	1427.94000
Density	/	Boiling Point	/
Molecular Formula	C₉₄H₈₂N₄O₂S₄	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	itic
Synonym	More Synonyms

BiologicalActivity

Description	ITIC, non-fullerene acceptor, is an indacenodithienothiophene-based postfullerene electron acceptor, crystallizes in a profoundly different way as compared to fullerenes.ITIC has a superior thermal stability and undergoes a glass-crystal transition considerably below its high Tg of 180 °C.
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
References	[1]. Yu L, et al. Diffusion-Limited Crystallization: A Rationale for the Thermal Stability of Non-Fullerene Solar Cells. ACS Appl Mater Interfaces. 2019 Jun 19;11(24):21766-21774.

Chemical & Physical Properties

Molecular Formula	C₉₄H₈₂N₄O₂S₄
Molecular Weight	1427.94000
Exact Mass	1426.53000
PSA	242.26000
LogP	25.61770
InChIKey	HQOWCDPFDSRYRO-FBLHCOHASA-N
SMILES	CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc4c(cc3-c3sc5cc(C=C6C(=O)c7ccccc7C6=C(C#N)C#N)sc5c32)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2c-4sc3cc(C=C4C(=O)c5ccccc5C4=C(C#N)C#N)sc23)cc1

Synonyms

3,9-Bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene)

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