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4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehydeCAS#: 854938-59-3
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehydeIUPAC Name4--3-(2-formylphenyl)anilino]-N-anilino]-2-(2-formylphenyl)benzaldehyde  Molecular StructureCAS Registry Number 854938-59-3EINECS NumberMDL NumberSynonyms854938-59-35,5'',5'''',5''''''-(1,4-Phenylenebis(azanetriyl))tetrakis((-2,2'-dicarbaldehyde))starbld0012612YSCH0083Benzaldehyde, 4,4',4'',4'''-(1,4-phenylenedinitrilo)tetrakis-Molecular FormulaC62H40N2O8Molecular Weight941InChI InChI=1S/C62H40N2O8/c65-33-41-9-1-5-13-55(41)59-29-51(21-17-45(59)37-69)63(52-22-18-46(38-70)60(30-52)56-14-6-2-10-42(56)34-66)49-25-27-50(28-26-49)64(53-23-19-47(39-71)61(31-53)57-15-7-3-11-43(57)35-67)54-24-20-48(40-72)62(32-54)58-16-8-4-12-44(58)36-68/h1-40H  InChI KeyYDNLFJWPVWCCGP-UHFFFAOYSA-N  Canonical SMILESC1=CC=C(C(=C1)C=O)C2=C(C=CC(=C2)N(C3=CC=C(C=C3)N(C4=CC(=C(C=C4)C=O)C5=CC=CC=C5C=O)C6=CC(=C(C=C6)C=O)C7=CC=CC=C7C=O)C8=CC(=C(C=C8)C=O)C9=CC=CC=C9C=O)C=O  

Physical Data

No data available

Spectra

4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehydeCAS#: 854938-59-3 NMR

Route of Synthesis (ROS)

Safety and Hazards

No data available

Other Data

TransportationUnder the room temperatureHS CodeStorageUnder the room temperature Shelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight524.576logP7.488HBA6HBD0Matching Lipinski Rules2Veber rules componentPolar Surface Area (PSA)68.28Rotatable Bond (RotB)10Matching Veber Rules2

Toxicity/Safety PharmacologyQuantitative Results

Use Pattern4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehydeCAS#: 854938-59-3 is used as a COF ligand.
https://www.chemwhat.com/4444-14-phenylenebisazanetriyltetrabenzaldehydecas-854938-59-3/

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