Synonym: 9-Bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-difluoro)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene; IT-4F; ITIC-2F; ITIC-DF3
CAS Number: 2097998-59-7
Empirical Formula (Hill Notation): C94H78F4N4O2S4
Molecular Weight: 1499.90
MDL Number: MFCD31692237
Linear Formula: C94H78F4N4O2S4
Product Type: Chemical
| assay |
97% |
| description |
Band gap: 1.52 eV |
| form |
solid |
| 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 |
| InChI key |
JOZQXSUYCMNTCH-ODDCUFEPSA-N |
| orbital energy |
HOMO -5.66 eV |
| |
LUMO -4.14 eV |
| Quality Level |
100  |
| SMILES string |
Fc1cc2c(cc1F)C(=C(C#N)C#N)C(=Cc3[s]c4c([s]c5c4C(c8c5cc9c(c8)c%10[s]c%11c([s]c(c%11)C=C%14/C(=O)c%15c(cc(c(c%15)F)F)C/%14=C(C#N)C#N)c%10C9(c%13ccc(cc%13)CCCCCC)c%12ccc(cc%12)CCCCCC)(c7ccc(cc7)CCCCCC)c6ccc(cc6)CCCCCC)c3)C2=O |
| Application: |
ITIC-F can be employed as the electron transport layer (ETL) in OFET devices. It can be blended with donor polymers to form the active layer in p-type OFETs. ITIC-F exhibits a broad absorption spectrum that extends into the visible and near-infrared regions. This characteristic allows for effective light absorption across a wide range of wavelengths and contributes to enhanced light-harvesting and power conversion efficiency in OPV devices. ITIC-F is commonly used as a non-fullerene acceptor in OPV devices. It serves as the electron acceptor material alongside a donor polymer in the photoactive layer. |
| Application: |
ITIC-F is a derivative of ITIC possessing lower energy levels and a broader absorption spectrum. It is used as an n-type molecule for organic photovoltaics, allowing very high performances of over 13%. |
| Application: |
ITIC-F is a non-fullerene acceptor molecule, which can be used in the fabrication of organic solar cells (OSCs) and organic photovoltaics (OPVs). |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
97% |
| UNSPSC |
12352101 |
