L8-BO CAS#: 2668341-40-8; ChemWhat Code: 1491320
Identification
| Product Name | L8-BO |
| IUPAC Name | 2-[2-[[8,22-bis(2-butyloctyl)-23-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,27-bis(2-ethylhexyl)-6,10,15,20,24-pentathia-3,14,16,27-tetrazaoctacyclo[16.9.0.02,12.04,11.05,9.013,17.019,26.021,25]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaen-7-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile |
| Molecular Structure |  |
| CAS Registry Number | 2668341-40-8 |
| EINECS Number | 207-322-2 |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | No data available |
| Molecular Formula | C84H90F4N8O2S5 |
| Molecular Weight | 1479.990 |
| InChI | InChI=1S/C84H90F4N8O2S5/c1-9-17-23-25-31-49(29-21-13-5)33-57-65(39-59-67(51(41-89)42-90)53-35-61(85)63(87)37-55(53)77(59)97)99-83-75-81(101-79(57)83)69-71-72(94-103-93-71)70-74(73(69)95(75)45-47(15-7)27-19-11-3)96(46-48(16-8)28-20-12-4)76-82(70)102-80-58(34-50(30-22-14-6)32-26-24-18-10-2)66(100-84(76)80)40-60-68(52(43-91)44-92)54-36-62(86)64(88)38-56(54)78(60)98/h35-40,47-50H,9-34,45-46H2,1-8H3 |
| InChI Key | FEYTYIZASAKNCE-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCC(CCCC)CC1=C(SC2=C1SC3=C2N(C4=C3C5=NSN=C5C6=C4N(C7=C6SC8=C7SC(=C8CC(CCCC)CCCCCC)C=C9C(=C(C#N)C#N)C1=CC(=C(C=C1C9=O)F)F)CC(CC)CCCC)CC(CC)CCCC)C=C1C(=C(C#N)C#N)C2=CC(=C(C=C2C1=O)F)F |
| Patent Information |
| No data available |
Physical Data
| Appearance | Powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C |
| 314.7 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | chloroform-d1 | 700 |
| Chemical shifts | 13C | chloroform-d1 |
| Description (IR Spectroscopy) |
| Bands, Spectrum |
| Spectrum |
| Description (Mass Spectrometry) |
| MALDI (Matrix assisted laser desorption ionization), time-of-flight mass spectra (TOFMS), spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) |
| Spectrum | neat (no solvent) | film |
| Spectrum | chloroform | |
| Spectrum | tetrahydrofuran |
| Description (Fluorescence Spectroscopy) |
| Spectrum, Fluorescence lifetime |
Route of Synthesis (ROS)
| No data available |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 1480.01 |
| logP | 26.901 |
| HBA | 10 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 296.28 |
| Rotatable Bond (RotB) | 34 |
| Matching Veber Rules | 0 |
| Use Pattern |
| Upgraded non-fullerene acceptor material |
| It is a structurally optimized product of Y6, with a wider light absorption range, better molecular energy level matching, and improved stability and efficiency. |
| Used in the next generation of high-efficiency OPV devices |
| When used with donor polymers such as PM6, it can achieve higher device power conversion efficiency (PCE) and is widely used in solar cells at the forefront of research and commercialization. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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