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2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalinophenazine CAS#: 2307218-00-2
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalinophenazineIUPAC Name4-triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaen-6-yl]benzaldehydeMolecular StructureCAS Registry Number 2307218-00-2Synonyms3-Pyridinamin;3-Pyridinamine;3-Pyridinamine;pyridin-3-amine;T6NJ CZ;3- Aminopyridine;3-Amino-pyridine;3-p2307218-00-24,4',4'',4''',4'''',4'''''-(Diquinoxalinophenazine-2,3,8,9,14,15-hexayl)hexabenzaldehyde2,3,8,9,14,15-Hexa(4-formylphenyl)diquinoxalinophenazineCS-01703694-triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaen-6-yl]benzaldehydeMolecular FormulaC66H36N6O6Molecular Weight1009InChIInChI=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/h1-36HInChI KeyRSRGRQWCLRRNSQ-UHFFFAOYSA-NSMILESC1=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), MHzChemical shifts1Hdichloromethane-d225300Chemical shifts, Spectrum1Hchloroform-d120300COSY (Correlation Spectroscopy), Spectrum1H, 1Hchloroform-d120126NOESY (Nuclear Overhauser Enhanced Spectroscopy), Spectrum1H, 1Hchloroform-d120126HSQC (Heteronuclear Single Quantum Coherence), Spectrum1H, 13Cchloroform-d120126Chemical shifts, Spectrum13Cchloroform-d120126

2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalinophenazine CAS#: 2307218-00-2 NMR

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Spectrumisopropyl alcohol

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalinophenazine CAS 2307218-00-2

ConditionsYieldWith 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 100℃; for 72h; Schlenk technique; Inert atmosphere;77%

Safety and Hazards

No data available

Other Data

DruglikenessLipinski rules componentMolecular Weight1009.05logP12.99HBA12HBD0Matching Lipinski Rules1Veber rules componentPolar Surface Area (PSA)179.76Rotatable Bond (RotB)12Matching Veber Rules0

Use Pattern2,3,8,9,14,15-hexa(4-formylphenyl)diquinoxalinophenazine CAS#: 2307218-00-2 is usually used as a OLED material. https://www.chemwhat.com/23891415-hexa4-formylphenyldiquinoxalino23-a2%e2%80%b23%e2%80%b2-cphenazine-cas-2307218-00-2/

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