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Calix[4]pyrrole

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Identification
Molecular formula
C25H38N4O2
CAS number
1068-43-9
IUPAC name
25-benzyl-4,11,18-triisopropyl-7-methyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
State
State

At room temperature, the compound is typically in a solid state. Its stable structure makes it suitable for forming crystalline solids which are often used in various chemical applications, particularly in molecular recognition and sensing applications.

Melting point (Celsius)
150.00
Melting point (Kelvin)
423.15
Boiling point (Celsius)
200.00
Boiling point (Kelvin)
473.15
General information
Molecular weight
550.75g/mol
Molar mass
550.7500g/mol
Density
1.2000g/cm3
Appearence

Calix[4]pyrrole compounds generally appear as solid, crystalline substances. They may have a pale color ranging from white to off-white, depending on specific substituents and purity. In general, these types of compounds form a cup-like structure due to their cyclic configuration.

Comment on solubility

Solubility of 25-benzyl-4,11,18-triisopropyl-7-methyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone

The solubility profile of this complex compound, C25H38N4O2, is influenced by several factors due to its unique structural features. Here are some observations:

  • Polarity: The presence of multiple functional groups in the compound, including nitrogen and oxygen atoms, may enhance its polarity, which can affect its solubility in polar solvents.
  • Solvent Type: It is likely to be more soluble in polar solvents like water, ethanol, and dimethyl sulfoxide (DMSO), while showing limited solubility in non-polar solvents such as hexane or toluene.
  • Temperature Dependency: The solubility can vary significantly with temperature; warming the solvent may improve the solubility of this compound.
  • Interactions: Hydrogen bonding and dipole-dipole interactions with solvent molecules can facilitate the solvation process, thus enhancing solubility.

As the saying goes, "like dissolves like." This means that the solubility of C25H38N4O2 will be optimized in environments that mimic its polar characteristics. Understanding these factors is crucial for practical applications and further research.

Interesting facts

Interesting Facts about 25-benzyl-4,11,18-triisopropyl-7-methyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone

This complex compound, often highlighted in discussions about synthetic chemistry, showcases remarkable structural intricacy and variety. Here are some fascinating aspects:

  • Unique Structure: The compound features an unprecedented pentacyclic framework that is composed of numerous interconnected rings.
  • Functional Diversity: With a variety of substituents such as –C6H5 (benzyl) and isopropyl groups, it exhibits a rich tapestry of chemical functionalities.
  • Reactivity: The presence of multiple carbonyl groups and sulfur atoms leads to potential reactivity in diverse organic transformations, making it an interesting subject for synthetic applications.
  • Applications in Research: Due to its complexity, this compound can be beneficial for research in fields such as materials science, medicinal chemistry, and theoretical chemistry.
  • Hexaene Characteristics: The hexaene structure suggests potential optical properties that could be interesting for photonic applications.
  • Analogous Compounds: Its structural profile positions it as an analogous precursor for the synthesis of other complex organic molecules.

Given its multi-faceted nature, chemical researchers often delve into its properties to explore not only its synthesis but also its potential applications in drug design, where intricate molecular architectures can lead to novel therapeutic mechanisms. This compound can inspire students and practitioners alike to appreciate the beauty of organic chemistry and the profound implications of molecular complexity.