bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate)

C34H22F6N4Pd2S2 — CID 165368112

IUPACbis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate)
SMILESFC(F)(F)c1ccc([S-])nc1.FC(F)(F)c1ccc([S-])nc1.[Pd+2].[Pd+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.2C6H4F3NS.2Pd/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*7-6(8,9)4-1-2-5(11)10-3-4;;/h2*1-6,8-9H;2*1-3H,(H,10,11);;/q2*-1;;;2*+2/p-2
InChIKeyXAZRZEDNERATHN-UHFFFAOYSA-L
MW877.54 g/mol
LogP9.10
Rot. Bonds2

About bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate)

bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate) (PubChem CID 165368112) has the molecular formula C34H22F6N4Pd2S2 and a molecular weight of 877.54 g/mol. Its IUPAC name is bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate).

Molecular Properties

Compound Namebis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate)
PubChem CID165368112
Molecular FormulaC34H22F6N4Pd2S2
Molecular Weight877.54 g/mol
Exact Mass875.93
IUPAC Namebis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate)
SMILESFC(F)(F)c1ccc([S-])nc1.FC(F)(F)c1ccc([S-])nc1.[Pd+2].[Pd+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.2C6H4F3NS.2Pd/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*7-6(8,9)4-1-2-5(11)10-3-4;;/h2*1-6,8-9H;2*1-3H,(H,10,11);;/q2*-1;;;2*+2/p-2
InChIKeyXAZRZEDNERATHN-UHFFFAOYSA-L
XLogP9.10
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.54
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate)?
The IUPAC name of bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate) (CID 165368112) is bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate).
What is the SMILES notation for bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate)?
The canonical SMILES for bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate) is FC(F)(F)c1ccc([S-])nc1.FC(F)(F)c1ccc([S-])nc1.[Pd+2].[Pd+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate)?
The InChIKey is XAZRZEDNERATHN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8N.2C6H4F3NS.2Pd/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*7-6(8,9)4-1-2-5(11)10-3-4;;/h2*1-6,8-9H;2*1-3H,(H,10,11);;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate)?
bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate) has a molecular weight of 877.54 g/mol, XLogP of 9.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(palladium(2+));bis(2-phenylpyridine);bis(5-(trifluoromethyl)pyridine-2-thiolate) is sourced from PubChem (CID 165368112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).