tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)

C68H56O4Pd2 — CID 11982065

IUPACtetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
InChIInChI=1S/4C17H14O.2Pd/c4*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h4*1-14H;;/b4*13-11+,14-12+;;
InChIKeyXFGZNYFKXJWVSH-XPKUMWTGSA-N
MW1150.03 g/mol
LogP15.92
Rot. Bonds16

About tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)

tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) (PubChem CID 11982065) has the molecular formula C68H56O4Pd2 and a molecular weight of 1150.03 g/mol. Its IUPAC name is tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium).

Molecular Properties

Compound Nametetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
PubChem CID11982065
Molecular FormulaC68H56O4Pd2
Molecular Weight1150.03 g/mol
Exact Mass1148.22
IUPAC Nametetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
InChIInChI=1S/4C17H14O.2Pd/c4*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h4*1-14H;;/b4*13-11+,14-12+;;
InChIKeyXFGZNYFKXJWVSH-XPKUMWTGSA-N
XLogP15.92
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.03
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
The IUPAC name of tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) (CID 11982065) is tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium).
What is the SMILES notation for tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
The canonical SMILES for tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) is O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].
What is the InChIKey of tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
The InChIKey is XFGZNYFKXJWVSH-XPKUMWTGSA-N. The full InChI is InChI=1S/4C17H14O.2Pd/c4*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h4*1-14H;;/b4*13-11+,14-12+;;.
What are the key properties of tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) has a molecular weight of 1150.03 g/mol, XLogP of 15.92, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) is sourced from PubChem (CID 11982065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).