2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalino[2,3-a:2′,3′-c]phenazine CAS#: 2307218-00-2; ChemWhat Code: 1416929
Identification
| Product Name | 2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalino[2,3-a:2′,3′-c]phenazine |
| IUPAC Name | 4-[7,16,17,26,27-pentakis(4-formylphenyl)-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaen-6-yl]benzaldehyde |
| CAS Registry Number | 2307218-00-2 |
| Synonyms | 3-Pyridinamin;3-Pyridinamine;3-Pyridinamine;pyridin-3-amine;T6NJ CZ;3- Aminopyridine;3-Amino-pyridine;3-pyridylamine;Amino-3 pyridine;m-Aminopyridine;MS/MS-1064463;Pyridin-3-ylamine;Pyridine, 3-amino-;β-Aminopyridine 462-08-8 |
| Molecular Formula | C66H36N6O6 |
| Molecular Weight | 1009 |
| InChI | InChI=1S/C66H36N6O6/c73-31-37-1-13-43(14-2-37)49-25-55-56(26-50(49)44-15-3-38(32-74)4-16-44)68-62-61(67-55)63-65(71-58-28-52(46-19-7-40(34-76)8-20-46)51(27-57(58)69-63)45-17-5-39(33-75)6-18-45)66-64(62)70-59-29-53(47-21-9-41(35-77)10-22-47)54(30-60(59)72-66)48-23-11-42(36-78)12-24-48/h1-36H |
| InChI Key | RSRGRQWCLRRNSQ-UHFFFAOYSA-N |
| Isomeric SMILES: | C1=CC(=CC=C1C=O)C2=CC3=C(C=C2C4=CC=C(C=C4)C=O)N=C5C(=N3)C6=NC7=C(C=C(C(=C7)C8=CC=C(C=C8)C=O)C9=CC=C(C=C9)C=O)N=C6C1=NC2=C(C=C(C(=C2)C2=CC=C(C=C2)C=O)C2=CC=C(C=C2)C=O)N=C51 |
Physical Data
No data available
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | dichloromethane-d2 | 25 | 300 |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 20 | 300 |
| COSY (Correlation Spectroscopy), Spectrum | 1H, 1H | chloroform-d1 | 20 | 126 |
| NOESY (Nuclear Overhauser Enhanced Spectroscopy), Spectrum | 1H, 1H | chloroform-d1 | 20 | 126 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Spectrum | supporting information |
| Bands, Spectrum | supporting information |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) |
| Spectrum | isopropyl alcohol |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of 2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalino[2,3-a2′,3′-c]phenazine CAS 2307218-00-2](https://www.chemwhat.com/wp-content/uploads/2023/10/Route-of-Synthesis-ROS-of-23891415-hexa4-formylphenyldiquinoxalino23-a2′3′-cphenazine-CAS-2307218-00-2.png)
Route of Synthesis (ROS) of 2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalino[2,3-a:2′,3′-c]phenazine CAS 2307218-00-2
| Conditions | Yield |
| With tetrakis-(triphenylphosphine)-palladium; potassium carbonate In water monomer; N,N-dimethyl-formamide at 90℃; for 72h; Suzuki Coupling; Inert atmosphere; | 80% |
| With tetrakis-(triphenylphosphine)-palladium; potassium carbonate In water monomer; N,N-dimethyl-formamide at 90℃; for 72h; Suzuki Coupling; Inert atmosphere; | 77% |
Safety and Hazards
No data available
Other Data
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 1009.05 |
| logP | 12.99 |
| HBA | 12 |
| HBD | 0 |
| Matching Lipinski Rules | 1 |
| Veber rules component | |
| Polar Surface Area (PSA) | 179.76 |
| Rotatable Bond (RotB) | 12 |
| Matching Veber Rules | 0 |
| Toxicity/Safety Pharmacology |
| Quantitative Results |
| Use Pattern |
| 2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalino[2,3-a:2′,3′-c]phenazine CAS 2307218-00-2 is usually used as a OLED material. |
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