bis(1,3-ditert-butylimidazol-2-ylidene)palladium

C22H40N4Pd — CID 15875154

IUPACbis(1,3-ditert-butylimidazol-2-ylidene)palladium
SMILESCC(C)(C)n1ccn(C(C)(C)C)c1=[Pd]=c1n(C(C)(C)C)ccn1C(C)(C)C
InChIInChI=1S/2C11H20N2.Pd/c2*1-10(2,3)12-7-8-13(9-12)11(4,5)6;/h2*7-8H,1-6H3;
InChIKeyJEXXDKIAXQAEPE-UHFFFAOYSA-N
MW467.01 g/mol
LogP5.76
Rot. Bonds

About bis(1,3-ditert-butylimidazol-2-ylidene)palladium

bis(1,3-ditert-butylimidazol-2-ylidene)palladium (PubChem CID 15875154) has the molecular formula C22H40N4Pd and a molecular weight of 467.01 g/mol. Its IUPAC name is bis(1,3-ditert-butylimidazol-2-ylidene)palladium.

Molecular Properties

Compound Namebis(1,3-ditert-butylimidazol-2-ylidene)palladium
PubChem CID15875154
Molecular FormulaC22H40N4Pd
Molecular Weight467.01 g/mol
Exact Mass466.23
IUPAC Namebis(1,3-ditert-butylimidazol-2-ylidene)palladium
SMILESCC(C)(C)n1ccn(C(C)(C)C)c1=[Pd]=c1n(C(C)(C)C)ccn1C(C)(C)C
InChIInChI=1S/2C11H20N2.Pd/c2*1-10(2,3)12-7-8-13(9-12)11(4,5)6;/h2*7-8H,1-6H3;
InChIKeyJEXXDKIAXQAEPE-UHFFFAOYSA-N
XLogP5.76
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.01
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-ditert-butylimidazol-2-ylidene)palladium?
The IUPAC name of bis(1,3-ditert-butylimidazol-2-ylidene)palladium (CID 15875154) is bis(1,3-ditert-butylimidazol-2-ylidene)palladium.
What is the SMILES notation for bis(1,3-ditert-butylimidazol-2-ylidene)palladium?
The canonical SMILES for bis(1,3-ditert-butylimidazol-2-ylidene)palladium is CC(C)(C)n1ccn(C(C)(C)C)c1=[Pd]=c1n(C(C)(C)C)ccn1C(C)(C)C.
What is the InChIKey of bis(1,3-ditert-butylimidazol-2-ylidene)palladium?
The InChIKey is JEXXDKIAXQAEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20N2.Pd/c2*1-10(2,3)12-7-8-13(9-12)11(4,5)6;/h2*7-8H,1-6H3;.
What are the key properties of bis(1,3-ditert-butylimidazol-2-ylidene)palladium?
bis(1,3-ditert-butylimidazol-2-ylidene)palladium has a molecular weight of 467.01 g/mol, XLogP of 5.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-ditert-butylimidazol-2-ylidene)palladium is sourced from PubChem (CID 15875154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).