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| Description | Band gap: 1.59 eV |
|---|---|
| IUPAC Name | (5Z)-3-ethyl-5-[[4-[7-[7-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2,1,3-benzothiadiazol-4-yl]-9,9-dioctylfluoren-2-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight | 1001.44 |
| Molecular Formula | C53H56N6O2S6 |
| Canonical SMILES | CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=C(C4=NSN=C34)C=C5C(=O)N(C(=S)S5)CC)C6=C1C=C(C=C6)C7=CC=C(C8=NSN=C78)C=C9C(=O)N(C(=S)S9)CC)CCCCCCCC |
| InChI | InChI=1S/C53H56N6O2S6/c1-5-9-11-13-15-17-27-53(28-18-16-14-12-10-6-2)41-29-33(37-23-21-35(45-47(37)56-66-54-45)31-43-49(60)58(7-3)51(62)64-43)19-25-39(41)40-26-20-34(30-42(40)53)38-24-22-36(46-48(38)57-67-55-46)32-44-50(61)59(8-4)52(63)65-44/h19-26,29-32H,5-18,27-28H2,1-4H3/b43-31-,44-32- |
| InChI Key | OLBOENQKGKQCJD-XOTMQJHLSA-N |
| Melting Point | >280 ℃ |
| Solubility | soluble in Chlorobenzene |
| Storage | room temp |
| Assay | ≥97% |
| Form | solid |
| Orbital Energy | HOMO -5.61 eV |
| Quality Level | 100 |
