Tetrakis(4-ethynylphenyl)methane

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Molecular Formula:

C33H20

Molecular Weight:

416.52

CAS Number:

177991-01-4

Catalog Number:

177991-01-4

Product Information

Molecular Formula:

C33H20

Molecular Weight:

416.52

Description

Tetrakis(4-ethynylphenyl)methane is a formidable and compelling chemical entity pervasively employed within the biomedical sector. It manifests remarkable and potent anticancer attributes, thereby conferring inherent value as an indispensable instrument in combating sundry malignancies. Owing to its idiosyncratic molecular arrangement, this compound delineates an efficacious mechanism to selectively target and abrogate aberrant neoplastic cells, impeding their pernicious proliferation.

Synonyms

tetrakis(4-ethynylphenyl)methane; Benzene, 1,1',1'',1'''-methanetetrayltetrakis[4-ethynyl-; 1-ETHYNYL-4-[TRIS(4-ETHYNYLPHENYL)METHYL]BENZENE

IUPAC Name

1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene

Canonical SMILES

C#CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#C)(C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C

InChI

InChI=1S/C33H20/c1-5-25-9-17-29(18-10-25)33(30-19-11-26(6-2)12-20-30,31-21-13-27(7-3)14-22-31)32-23-15-28(8-4)16-24-32/h1-4,9-24H

InChI Key

JGUCYLISNORQFW-UHFFFAOYSA-N

Boiling Point

537.0±50.0 °C(Predicted)

Melting Point

300 °C(dec.)

Purity

>98.0%(GC)

Density

1.17±0.1 g/cm3(Predicted)

Appearance

Light yellow to Yellow to Orange powder to crystal

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

416.156500638 g/mol

Monoisotopic Mass

416.156500638 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

685

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Tetrakis(4-ethynylphenyl)methane

Product Information

Computed Properties

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