CAS 1126896-14-7: 5′′-(3′,5′-Dicarboxy[1,1′-biphenyl]-4-yl)[1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl]-3,3′′′′,5,5′′′′-tetracarboxylic acid

Description: The chemical substance known as 5′′-(3′,5′-Dicarboxy[1,1′-biphenyl]-4-yl)[1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl]-3,3′′′′,5,5′′′′-tetracarboxylic acid, with the CAS number 1126896-14-7, is a complex organic compound characterized by its extensive aromatic structure and multiple carboxylic acid functional groups. This compound features a biphenyl moiety and a quinquephenyl framework, indicating a high degree of conjugation and potential for π-π stacking interactions. The presence of multiple carboxylic acid groups suggests strong acidity and the ability to form hydrogen bonds, which can enhance solubility in polar solvents and facilitate interactions with other molecules. Such structural features may contribute to its utility in various applications, including organic electronics, materials science, and as a potential ligand in coordination chemistry. The intricate arrangement of its functional groups also implies possible roles in supramolecular chemistry and the development of advanced materials with tailored properties.

Formula: C₄₈H₃₀O₁₂

InChI: InChI=1S/C48H30O12/c49-43(50)37-16-34(17-38(22-37)44(51)52)28-7-1-25(2-8-28)31-13-32(26-3-9-29(10-4-26)35-18-39(45(53)54)23-40(19-35)46(55)56)15-33(14-31)27-5-11-30(12-6-27)36-20-41(47(57)58)24-42(21-36)48(59)60/h1-24H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)

InChI key: InChIKey=GRUCPCKDKJRCJX-UHFFFAOYSA-N

SMILES: O=C(O)C=1C=C(C=C(C1)C=2C=CC(=CC2)C3=CC(=CC(=C3)C=4C=CC(=CC4)C=5C=C(C=C(C5)C(=O)O)C(=O)O)C=6C=CC(=CC6)C=7C=C(C=C(C7)C(=O)O)C(=O)O)C(=O)O

Synonyms:

• 5′′-(3′,5′-Dicarboxy[1,1′-biphenyl]-4-yl)[1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl]-3,3′′′′,5,5′′′′-tetracarboxylic acid
• [1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-Quinquephenyl]-3,3′′′′,5,5′′′′-tetracarboxylic acid, 5′′-(3′,5′-dicarboxy[1,1′-biphenyl]-4-yl)-

5''-(3',5'-dicarboxy-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3'''',5,5''''-tetracarboxylic acid

CAS: 1126896-14-7

• Purity: 0.98
• Molecular weight: 798.74g/mol

5''-(3',5'-dicarboxy-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3'''',5,5''''-tetracarboxylic acid

CAS: 1126896-14-7

• Purity: 97%
• Molecular weight: 798.7559814453125

1,3,5-Tris(3,5′-carboxy[1,1′-biphenyl]-4-

CAS: 1126896-14-7

• Formula: C₄₈H₃₀O₁₂
• Purity: 95%
• Color and Shape: Solid
• Molecular weight: 798.7446

5''-(3',5'-Dicarboxy-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3'''',5,5''''-tetracarboxylic acid

CAS: 1126896-14-7

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• Formula: C₄₈H₃₀O₁₂
• Purity: Min. 95%
• Molecular weight: 798.7 g/mol