Tris(dibenzylideneacetone)dipalladium(0)

Catalog Number	ACM60748472-1
CAS	60748-47-2
Structure
Synonyms	(1E,4E)-1,5-Diphenylpenta-1,4-dien-3-one;palladium
IUPAC Name	(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
Molecular Weight	915.7
Molecular Formula	C51H42O3Pd2
Canonical SMILES	C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd]
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	Powder
EC Number	610-654-4
Exact Mass	916.12077
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
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]
Monoisotopic Mass	914.12036
Rotatable Bond Count	12
Topological Polar Surface Area	51.2 Ų

Q&A

What is the molecular formula of Tris(dibenzylideneacetone)dipalladium(0)?

The molecular formula is C51H42O3Pd2.

What is the molecular weight of Tris(dibenzylideneacetone)dipalladium(0)?

The molecular weight is 915.7 g/mol.

What is the IUPAC name of Tris(dibenzylideneacetone)dipalladium(0)?

The IUPAC name is (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium.

What is the CAS number of Tris(dibenzylideneacetone)dipalladium(0)?

The CAS number is 51364-51-3.

How many hydrogen bond donor counts does Tris(dibenzylideneacetone)dipalladium(0) have?

Tris(dibenzylideneacetone)dipalladium(0) has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Tris(dibenzylideneacetone)dipalladium(0) have?

Tris(dibenzylideneacetone)dipalladium(0) has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does Tris(dibenzylideneacetone)dipalladium(0) have?

Tris(dibenzylideneacetone)dipalladium(0) has 12 rotatable bond counts.

What is the exact mass of Tris(dibenzylideneacetone)dipalladium(0)?

The exact mass is 916.12077 g/mol.

How many heavy atoms are present in Tris(dibenzylideneacetone)dipalladium(0)?

Tris(dibenzylideneacetone)dipalladium(0) has 56 heavy atoms.

How many defined bond stereocenter counts are there in Tris(dibenzylideneacetone)dipalladium(0)?

There are 6 defined bond stereocenter counts in Tris(dibenzylideneacetone)dipalladium(0).