dibenzylidenepalladium

C14H12Pd — CID 22380997

IUPACdibenzylidenepalladium
SMILESC(=[Pd]=Cc1ccccc1)c1ccccc1
InChIInChI=1S/2C7H6.Pd/c2*1-7-5-3-2-4-6-7;/h2*1-6H;
InChIKeyMLWTXFLMRFJZCA-UHFFFAOYSA-N
MW286.67 g/mol
LogP2.77
Rot. Bonds2

About dibenzylidenepalladium

dibenzylidenepalladium (PubChem CID 22380997) has the molecular formula C14H12Pd and a molecular weight of 286.67 g/mol. Its IUPAC name is dibenzylidenepalladium.

Molecular Properties

Compound Namedibenzylidenepalladium
PubChem CID22380997
Molecular FormulaC14H12Pd
Molecular Weight286.67 g/mol
Exact Mass286.00
IUPAC Namedibenzylidenepalladium
SMILESC(=[Pd]=Cc1ccccc1)c1ccccc1
InChIInChI=1S/2C7H6.Pd/c2*1-7-5-3-2-4-6-7;/h2*1-6H;
InChIKeyMLWTXFLMRFJZCA-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dibenzylidenepalladium?
The IUPAC name of dibenzylidenepalladium (CID 22380997) is dibenzylidenepalladium.
What is the SMILES notation for dibenzylidenepalladium?
The canonical SMILES for dibenzylidenepalladium is C(=[Pd]=Cc1ccccc1)c1ccccc1.
What is the InChIKey of dibenzylidenepalladium?
The InChIKey is MLWTXFLMRFJZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6.Pd/c2*1-7-5-3-2-4-6-7;/h2*1-6H;.
What are the key properties of dibenzylidenepalladium?
dibenzylidenepalladium has a molecular weight of 286.67 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzylidenepalladium is sourced from PubChem (CID 22380997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).