Description

4,4′,4”,4”’,4””,4””’-(9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexabenzaldehyde (CAS: 1835723-12-0) is a highly specialized organic compound with the molecular formula C₆₂H₃₈O₆. This polyfunctional benzaldehyde derivative features a rigid pentacyclic core decorated with six formylphenyl groups, making it a valuable building block for advanced materials research. The compound’s extended π-conjugated system and multiple reactive aldehyde functionalities enable its use in the synthesis of covalent organic frameworks (COFs), metal-organic frameworks (MOFs), and other porous polymers. With an IUPAC name of 4-[5,11,12,17,18-pentakis(4-formylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]benzaldehyde, this high-purity material is particularly suited for researchers working on organic electronics, molecular sensors, and heterogeneous catalysis. The product is supplied with comprehensive analytical characterization data including ¹H NMR, ¹³C NMR, and HPLC purity reports.

Properties

• CAS Number: 1835723-12-0
• Complexity: 1400
• IUPAC Name: 4-[5,11,12,17,18-pentakis(4-formylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]benzaldehyde
• InChI: InChI=1S/C62H38O6/c63-31-37-1-13-43(14-2-37)49-25-55-56(26-50(49)44-15-3-38(32-64)4-16-44)62-59-29-53(47-21-9-41(35-67)10-22-47)51(45-17-5-39(33-65)6-18-45)27-57(59)61(55)58-28-52(46-19-7-40(34-66)8-20-46)54(30-60(58)62)48-23-11-42(36-68)12-24-48/h1-36,61-62H
• InChI Key: MQGKNQOUTIRYHO-UHFFFAOYSA-N
• Exact Mass: 878.26683893
• Molecular Formula: C62H38O6
• Molecular Weight: 879.0
• SMILES: C1=CC(=CC=C1C=O)C2=CC3=C(C=C2C4=CC=C(C=C4)C=O)C5C6=C(C3C7=C5C=C(C(=C7)C8=CC=C(C=C8)C=O)C9=CC=C(C=C9)C=O)C=C(C(=C6)C1=CC=C(C=C1)C=O)C1=CC=C(C=C1)C=O
• Topological: 102
• Monoisotopic Mass: 878.26683893
• Synonyms: 1835723-12-0, 4,4′,4”,4”’,4””,4””’-(9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexabenzaldehyde, 4,4,4,4,4,4-(9,10-dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexabenzaldehyde, 4-[5,11,12,17,18-Pentakis(4-formylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]benzaldehyde, YSZC017, MFCD34186892, AKOS040769003, BS-44913, CS-0170756, E74909

Application

This hexa-aldehyde compound serves as a crucial precursor for constructing multidimensional covalent organic frameworks (COFs) with precisely controlled pore architectures. Researchers utilize its multiple reactive sites to create highly ordered, crystalline porous materials for gas storage applications. The compound’s rigid, conjugated structure makes it particularly valuable in developing organic semiconductors and photoconductive materials. Additionally, its aldehyde functionalities enable post-synthetic modification through Schiff base chemistry for sensor development.

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