Tetrakis(4-ethynylphenyl)methane
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
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
8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
8
Exact Mass
416.156500638 g/mol
Monoisotopic Mass
416.156500638 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
685
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
