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| Description | Band gap: 1.73 eV |
|---|---|
| IUPAC Name | 2-[(2Z)-2-[[20-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(5-hexylthiophen-2-yl)-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]-3-oxoinden-1-ylidene]propanedinitrile |
| Molecular Weight | 1452.05 |
| Molecular Formula | C86H74N4O2S8 |
| Canonical SMILES | CCCCCCC1=CC=C(S1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C=C(S6)C=C7C(=C(C#N)C#N)C8=CC=CC=C8C7=O)C(C9=C4SC1=C9SC(=C1)C=C1C(=C(C#N)C#N)C2=CC=CC=C2C1=O)(C1=CC=C(S1)CCCCCC)C1=CC=C(S1)CCCCCC)C1=CC=C(S1)CCCCCC |
| InChI | InChI=1S/C86H74N4O2S8/c1-5-9-13-17-25-53-33-37-71(93-53)85(72-38-34-54(94-72)26-18-14-10-6-2)67-45-64-68(46-63(67)81-77(85)83-69(99-81)43-57(97-83)41-65-75(51(47-87)48-88)59-29-21-23-31-61(59)79(65)91)86(73-39-35-55(95-73)27-19-15-11-7-3,74-40-36-56(96-74)28-20-16-12-8-4)78-82(64)100-70-44-58(98-84(70)78)42-66-76(52(49-89)50-90)60-30-22-24-32-62(60)80(66)92/h21-24,29-46H,5-20,25-28H2,1-4H3/b65-41-,66-42- |
| InChI Key | IBMVRGMZLQWAJY-SLZAGEDMSA-N |
| Storage | room temp |
| Assay | 0.99 |
| Form | solid |
| Orbital Energy | HOMO -5.66 eV |
| Packaging | 50, 100 mg in glass bottle |
| Quality Level | 100 |
