3,3′-[5′-[3-(3-Pyridinyl)phenyl][1,1′:3′,1”-terphenyl]-3,3”-diyl]bispyridine CAS#: 921205-03-0; ChemWhat Code: 17839
Identification
| Product Name | 3,3′-[5′-[3-(3-Pyridinyl)phenyl][1,1′:3′,1”-terphenyl]-3,3”-diyl]bispyridine |
| IUPAC Name | 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine |
| Molecular Structure | ![Structure of 3,3'-[5'-[3-(3-Pyridinyl)phenyl][1,1'3',1''-terphenyl]-3,3''-diyl]bispyridine CAS# 921205-03-0](https://www.chemwhat.com/wp-content/uploads/2017/11/Structure-of-33-5-3-3-Pyridinylphenyl1131-terphenyl-33-diylbispyridine-CAS-921205-03-0.jpg) |
| CAS Registry Number | 921205-03-0 |
| EINECS Number | No data available |
| MDL Number | MFCD16621131 |
| Beilstein Registry Number | No data available |
| Synonyms | 1,3,5-tri(m-pyrid-3-yl-phenyl)benzeneTmPyPB |
| Molecular Formula | C39H27N3 |
| Molecular Weight | 537.652 |
| InChI | InChI=1S/C39H27N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-27H |
| InChI Key | CINYXYWQPZSTOT-UHFFFAOYSA-N |
| Canonical SMILES | c1cc(cc(c1)c2cc(cc(c2)c3cccc(c3)c4cccnc4)c5cccc(c5)c6cccnc6)c7cccnc7 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| JP2017/222623 | COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT | 2017 |
Physical Data
| Appearance | White to light yellow powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) |
| Chemical shifts, Spectrum | 1H |
![HNMR of 3,3'-[5'-[3-(3-Pyridinyl)phenyl][1,1'3',1''-terphenyl]-3,3''-diyl]bispyridine CAS# 921205-03-0](https://www.chemwhat.com/wp-content/uploads/2017/11/HNMR-of-33-5-3-3-Pyridinylphenyl1131-terphenyl-33-diylbispyridine-CAS-921205-03-0.png)
| Description (Mass Spectrometry) |
| electrospray ionisation (ESI), spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| dichloromethane | 254 | ||
| Spectrum | film | 254 | |
| Spectrum | methanol | 253 |
| Description (Luminescence Spectroscopy) |
| Luminescence maximum(a) |
| Description (Fluorescence Spectroscopy) |
| Spectrum, Maxima |
| Spectrum |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of 3,3'-[5'-[3-(3-Pyridinyl)phenyl][1,1'3',1''-terphenyl]-3,3''-diyl]bispyridine CAS# 921205-03-0](https://www.chemwhat.com/wp-content/uploads/2017/11/Route-of-Synthesis-ROS-of-33-5-3-3-Pyridinylphenyl1131-terphenyl-33-diylbispyridine-CAS-921205-03-0.png)
| Conditions | Yield |
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 80℃; for 24h; Concentration; Inert atmosphere; | 83% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | Class 6.1; Packaging Group: II; UN Number: 2671 |
| Under the room temperature and away from light | |
| HS Code | 290621 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD 45/kg |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 537.663 |
| logP | 9.906 |
| HBA | 3 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 38.67 |
| Rotatable Bond (RotB) | 6 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 3,3′-[5′-[3-(3-Pyridinyl)phenyl][1,1′:3′,1”-terphenyl]-3,3”-diyl]bispyridine CAS#: 921205-03-0 is a scintillation material |
| 3,3′-[5′-[3-(3-Pyridinyl)phenyl][1,1′:3′,1”-terphenyl]-3,3”-diyl]bispyridine CAS#: 921205-03-0 can emit fluorescent pulses due to the excitation of rays or high-energy particles |
| 3,3′-[5′-[3-(3-Pyridinyl)phenyl][1,1′:3′,1”-terphenyl]-3,3”-diyl]bispyridine CAS#: 921205-03-0 can be converted into optical signals, so that the scintillation material can be used to identify rays or high-energy particles. |
| Engineering |
| phosphorescent organic electroluminescent device |
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