o-IDTBR

• CAT Number: M440145
• CAS Number: 2077945-91-4
• Molecular Formula: C72H88N6O2S8
• Molecular Weight: 1326.03
• Purity: 98.0%
• Synonyms: IDTBR, (5Z,5’Z)-5,5′-((7,7′-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl))bis(methanylylidene))bis(3-ethyl-2-thioxothiazolidin-4-one)
• Solubility: Chloroform, chlorobezene
• Appearance: Dark blue powder/crystals
• Storage: Room Temperature (Recommended in a cool and dark place)
• IUPAC Name: (5E)-3-ethyl-5-[[4-[15-[7-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2,1,3-benzothiadiazol-4-yl]-9,9,18,18-tetraoctyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• InChI: InChI=1S/C72H88N6O2S8/c1-7-13-17-21-25-29-37-71(38-30-26-22-18-14-8-2)53-43-52-54(44-51(53)65-55(71)45-57(83-65)49-35-33-47(61-63(49)75-87-73-61)41-59-67(79)77(11-5)69(81)85-59)72(39-31-27-23-19-15-9-3,40-32-28-24-20-16-10-4)56-46-58(84-66(52)56)50-36-34-48(62-64(50)76-88-74-62)42-60-68(80)78(12-6)70(82)86-60/h33-36,41-46H,7-32,37-40H2,1-6H3/b59-41+,60-42+
• InChIKey: HTXQPYFGYQYREE-KOFZYJMNSA-N
• SMILES: CCCCCCCCC1(C2=CC3=C(C=C2C4=C1C=C(S4)C5=CC=C(C6=NSN=C56)/C=C/7C(=O)N(C(=S)S7)CC)C(C8=C3SC(=C8)C9=CC=C(C1=NSN=C91)/C=C/1C(=O)N(C(=S)S1)CC)(CCCCCCCC)CCCCCCCC)CCCCCCCC
• HOMO / LUMO: HOMO = -5.56 eV, LUMO = -3.93 eV

o-IDTBR is a high-performance small molecule acceptor featuring an A–A′–D–A′–A structure, built around an electron-rich indaceno[1,2-b:5,6-b′]dithiophene (IDT) core with n-octyl side chains, flanked by benzothiadiazole units and rhodanine termini. Its strong absorption between 600–730 nm and reduced charge recombination losses make o-IDTBR an efficient n-type non-fullerene acceptor (NFA) for polymer organic photovoltaics (OPVs). The material combines excellent stability under ambient conditions with impressive photovoltaic properties. In mixed-acceptor systems with o-IDFBR and PTB7-Th donor polymer, o-IDTBR has enabled OPV devices with efficiencies of ~11% and high open-circuit voltages exceeding 1.0 V.