bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate

C40H36N2O6Pd — CID 139129249

IUPACbis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].OC(c1ccccc1)(c1ccccc1)c1ccncc1.OC(c1ccccc1)(c1ccccc1)c1ccncc1.[Pd+2]
InChIInChI=1S/2C18H15NO.2C2H4O2.Pd/c2*20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;2*1-2(3)4;/h2*1-14,20H;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyTYIZLVGSEOHPBW-UHFFFAOYSA-L
MW747.16 g/mol
LogP4.24
Rot. Bonds6

About bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate

bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate (PubChem CID 139129249) has the molecular formula C40H36N2O6Pd and a molecular weight of 747.16 g/mol. Its IUPAC name is bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate.

Molecular Properties

Compound Namebis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate
PubChem CID139129249
Molecular FormulaC40H36N2O6Pd
Molecular Weight747.16 g/mol
Exact Mass746.16
IUPAC Namebis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].OC(c1ccccc1)(c1ccccc1)c1ccncc1.OC(c1ccccc1)(c1ccccc1)c1ccncc1.[Pd+2]
InChIInChI=1S/2C18H15NO.2C2H4O2.Pd/c2*20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;2*1-2(3)4;/h2*1-14,20H;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyTYIZLVGSEOHPBW-UHFFFAOYSA-L
XLogP4.24
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500747.16
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate?
The IUPAC name of bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate (CID 139129249) is bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate.
What is the SMILES notation for bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate?
The canonical SMILES for bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate is CC(=O)[O-].CC(=O)[O-].OC(c1ccccc1)(c1ccccc1)c1ccncc1.OC(c1ccccc1)(c1ccccc1)c1ccncc1.[Pd+2].
What is the InChIKey of bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate?
The InChIKey is TYIZLVGSEOHPBW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15NO.2C2H4O2.Pd/c2*20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;2*1-2(3)4;/h2*1-14,20H;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate?
bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate has a molecular weight of 747.16 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate is sourced from PubChem (CID 139129249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).