
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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