ITIC-4F

• CAT Number: I018722
• CAS Number: 2097998-59-7
• Molecular Formula: C94H78F4N4O2S4
• Molecular Weight: 1499.90
• Purity: ≥95%
• Synonyms: 2-[(2E)-2-[[20-[(Z)-[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile
• InChI: InChI=1S/C94H78F4N4O2S4/c1-5-9-13-17-21-55-25-33-61(34-26-55)93(62-35-27-56(28-36-62)22-18-14-10-6-2)75-45-72-76(46-71(75)89-85(93)91-81(107-89)43-65(105-91)41-73-83(59(51-99)52-100)67-47-77(95)79(97)49-69(67)87(73)103)94(63-37-29-57(30-38-63)23-19-15-11-7-3,64-39-31-58(32-40-64)24-20-16-12-8-4)86-90(72)108-82-44-66(106-92(82)86)42-74-84(60(53-101)54-102)68-48-78(96)80(98)50-70(68)88(74)104/h25-50H,5-24H2,1-4H3/b73-41-,74-42+
• InChIKey: JOZQXSUYCMNTCH-WJLAHIJSSA-N
• SMILES: CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C=C(S6)C=C7C(=C(C#N)C#N)C8=CC(=C(C=C8C7=O)F)F)C(C9=C4SC1=C9SC(=C1)C=C1C(=C(C#N)C#N)C2=CC(=C(C=C2C1=O)F)F)(C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC

ITIC-4F is an indacenodithienothiophene (IDTT)-based postfullerene electron acceptor.
ITIC-4F has broad applicability in high-efficiency binary and ternary single-junction as well as tandem polymer solar cells (PSCs)[1].

Reference

[1]. Aldrich TJ, et al. Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response. J Am Chem Soc. 2019 Feb 20;141(7):3274-3287.
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