Synonyms
Bis[tris(dibenzylideneacetone)palladium(0)]
IUPAC Name
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
Molecular Weight
915.73
Molecular Formula
C51H42O3Pd2
InChI
InChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h3*1-14H;/b3*13-11+,14-12+;
InChI Key
CYPYTURSJDMMMP-WVCUSYJESA-N
Melting Point
152-155 °C
Purity
98%
Appearance
Purple black crystalline powder
Storage
2-8°C
Color Form
crystalline
Complexity
272
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
6
EC Number
610-654-4
Empirical Formula
[Pd2(dba)3] x dba
Exact Mass
916.12077
H-Bond Acceptor
3
Heavy Atom Count
56
Isomeric SMILES
C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]
Metal
Pd
Metal Content
16
Monoisotopic Mass
914.12036
Rotatable Bond Count
12
Topological Polar Surface Area
51.2 Ų
