Synonym: 2,2′-[[6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydrodithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene-2,8-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile]
CAS Number: 1664293-06-4
Empirical Formula (Hill Notation): C94H82N4O2S4
Molecular Weight: 1427.94
MDL Number: MFCD31560654
Linear Formula: C94H82N4O2S4
Product Type: Chemical
| assay |
99% |
| description |
Band gap:1.61eV |
| form |
solid |
| InChI |
1S/C94H82N4O2S4/c1-5-9-13-17-25-59-33-41-65(42-34-59)93(66-43-35-60(36-44-66)26-18-14-10-6-2)79-53-76-80(54-75(79)89-85(93)91-81(103-89)51-69(101-91)49-77-83(63(55-95)56-96)71-29-21-23-31-73(71)87(77)99)94(67-45-37-61(38-46-67)27-19-15-11-7-3,68-47-39-62( |
| InChI key |
HQOWCDPFDSRYRO-VFZXRLAXSA-N |
| orbital energy |
HOMO -5.5 eV |
| |
LUMO -3.89 eV |
| Quality Level |
100  |
| SMILES string |
O=C1C2=C(C=CC=C2)C(/C1=C/C3=CC(S4)=C(S3)C5=C4C(C=C(C(C6=CC=C(CCCCCC)C=C6)(C7=CC=C(CCCCCC)C=C7)C8=C9SC%10=C8SC(/C=C%11C(C(C=CC=C%12)=C%12C%11=O)=C(C#N)C#N)=C%10)C9=C%13)=C%13C5(C%14=CC=C(CCCCCC)C=C%14)C%15=CC=C(CCCCCC)C=C%15)=C(C#N)C#N |
| Application: |
ITIC is a specific non-fullerene acceptor (NFA) molecule used in Organic Photovoltaics(OPVs). ITIC offers potential advantages over traditional fullerene-based acceptors such as include higher Voc (open-circuit voltage), improved stability and broader absorption properties. |
| Packaging: |
50, 100 mg in glass bottle |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
99% |
| UNSPSC |
12352200 |
