bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate

C34H25N2O4PPdS — CID 21284182

IUPACbis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate
SMILESO=S(=O)([O-])[O-].[Pd+2].c1ccc(-c2ccnc(Pc3nccc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C34H25N2P.H2O4S.Pd/c1-5-13-25(14-6-1)29-21-23-35-33(31(29)27-17-9-3-10-18-27)37-34-32(28-19-11-4-12-20-28)30(22-24-36-34)26-15-7-2-8-16-26;1-5(2,3)4;/h1-24,37H;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyFWWMQJXANUMRJT-UHFFFAOYSA-L
MW695.05 g/mol
LogP6.43
Rot. Bonds6

About bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate

bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate (PubChem CID 21284182) has the molecular formula C34H25N2O4PPdS and a molecular weight of 695.05 g/mol. Its IUPAC name is bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate.

Molecular Properties

Compound Namebis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate
PubChem CID21284182
Molecular FormulaC34H25N2O4PPdS
Molecular Weight695.05 g/mol
Exact Mass694.03
IUPAC Namebis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate
SMILESO=S(=O)([O-])[O-].[Pd+2].c1ccc(-c2ccnc(Pc3nccc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C34H25N2P.H2O4S.Pd/c1-5-13-25(14-6-1)29-21-23-35-33(31(29)27-17-9-3-10-18-27)37-34-32(28-19-11-4-12-20-28)30(22-24-36-34)26-15-7-2-8-16-26;1-5(2,3)4;/h1-24,37H;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyFWWMQJXANUMRJT-UHFFFAOYSA-L
XLogP6.43
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.05
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate?
The IUPAC name of bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate (CID 21284182) is bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate.
What is the SMILES notation for bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate?
The canonical SMILES for bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate is O=S(=O)([O-])[O-].[Pd+2].c1ccc(-c2ccnc(Pc3nccc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate?
The InChIKey is FWWMQJXANUMRJT-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H25N2P.H2O4S.Pd/c1-5-13-25(14-6-1)29-21-23-35-33(31(29)27-17-9-3-10-18-27)37-34-32(28-19-11-4-12-20-28)30(22-24-36-34)26-15-7-2-8-16-26;1-5(2,3)4;/h1-24,37H;(H2,1,2,3,4);/q;;+2/p-2.
What are the key properties of bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate?
bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate has a molecular weight of 695.05 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-diphenyl-2-pyridinyl)phosphane;palladium(2+);sulfate is sourced from PubChem (CID 21284182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).