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

C68H56O4Pd2 — CID 11615059

IUPACtetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
SMILESO=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[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;;
InChIKeyXFGZNYFKXJWVSH-UHFFFAOYSA-N
MW1150.03 g/mol
LogP15.92
Rot. Bonds16

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

tetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) (PubChem CID 11615059) has the molecular formula C68H56O4Pd2 and a molecular weight of 1150.03 g/mol. Its IUPAC name is tetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium).

Molecular Properties

Compound Nametetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
PubChem CID11615059
Molecular FormulaC68H56O4Pd2
Molecular Weight1150.03 g/mol
Exact Mass1148.22
IUPAC Nametetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
SMILESO=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[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;;
InChIKeyXFGZNYFKXJWVSH-UHFFFAOYSA-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(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
The IUPAC name of tetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) (CID 11615059) is tetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium).
What is the SMILES notation for tetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
The canonical SMILES for tetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) is O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd].
What is the InChIKey of tetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
The InChIKey is XFGZNYFKXJWVSH-UHFFFAOYSA-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;;.
What are the key properties of tetrakis(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
tetrakis(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(1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) is sourced from PubChem (CID 11615059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).