Tris[μ-[(1,2-η:4,5-η)-1,5-bis(4-methoxyphenyl)-1,4-pentadien-3-one]]dipalladium
Product Information
Molecular Formula
C57H54O9Pd2
Molecular Weight
1095.87
Description
Tris[ì-[(1,2-?:4,5-?)-(1E,4E)-1,5-bis(4-methoxyphenyl)-1,4-pentadien-3-one]]di-palladium is a palladium-based compound. It holds promise as a therapeutic agent for tumors and inflammation by selectively antagonizing key intracellular mechanisms, thereby inhibiting malignant tumor proliferation.
Synonyms
1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one palladium complex
SMILES
COC1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=C(C=C2)OC.COC1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=C(C=C2)OC.COC1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=C(C=C2)OC.[Pd].[Pd]
InChI
InChI=1S/3C19H18O3.2Pd/c3*1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3*3-14H,1-2H3
InChI Key
MUMOHYILJJXYCH-UHFFFAOYSA-N
Melting Point
138-145 °C
Safety Information
Hazards
H302 + H312 + H332-H315-H319-H335
Precautionary Statement
P261-P280-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
24
Exact Mass
1096.18416 g/mol
Monoisotopic Mass
1094.18374 g/mol
Topological Polar Surface Area
107Ų
Heavy Atom Count
68
Formal Charge
0
Complexity
283
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
5
Compound Is Canonicalized
Yes
