bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate

C12H16F12N4P2Pd2-2 — CID 139183199

IUPACbis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate
SMILESCC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd].[Pd].c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/2C4H5N.2C2H3N.2F6P.2Pd/c2*1-2-4-5-3-1;2*1-2-3;2*1-7(2,3,4,5)6;;/h2*1-5H;2*1H3;;;;/q;;;;2*-1;;
InChIKeyBYPHJHAPHFYKGS-UHFFFAOYSA-N
MW719.05 g/mol
LogP9.85
Rot. Bonds

About bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate

bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate (PubChem CID 139183199) has the molecular formula C12H16F12N4P2Pd2-2 and a molecular weight of 719.05 g/mol. Its IUPAC name is bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate
PubChem CID139183199
Molecular FormulaC12H16F12N4P2Pd2-2
Molecular Weight719.05 g/mol
Exact Mass717.87
IUPAC Namebis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate
SMILESCC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd].[Pd].c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/2C4H5N.2C2H3N.2F6P.2Pd/c2*1-2-4-5-3-1;2*1-2-3;2*1-7(2,3,4,5)6;;/h2*1-5H;2*1H3;;;;/q;;;;2*-1;;
InChIKeyBYPHJHAPHFYKGS-UHFFFAOYSA-N
XLogP9.85
TPSA79.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.05
LogP ≤ 59.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;hydron;hexafluorophosphate
CID 162334933
bis(acetonitrile);bis(1-methylpyrrole);nitromethane;bis(palladium);dihexafluorophosphate
CID 139183200
1H-pyrrole;tungsten
CID 160750537
iridium(3+);tris(1H-pyrrole)
CID 175787934
acetonitrile;benzene;hydrate
CID 18177286
ethane;hex-2-yne;1H-pyrrole
CID 90838950
1H-pyrrole;1,3,5-trimethylbenzene
CID 175046284
1H-pyrrole;sulfane;zinc
CID 160744760
phosphane;1H-pyrrole;hydrobromide
CID 174779727
benzene;methane;1H-pyrrole
CID 174843478
1H-pyrrole;silane;tetrahydrofluoride
CID 174637179
bis(acetonitrile);palladium;hydrochloride
CID 173031121

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate?
The IUPAC name of bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate (CID 139183199) is bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate?
The canonical SMILES for bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate is CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd].[Pd].c1cc[nH]c1.c1cc[nH]c1.
What is the InChIKey of bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate?
The InChIKey is BYPHJHAPHFYKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.2C2H3N.2F6P.2Pd/c2*1-2-4-5-3-1;2*1-2-3;2*1-7(2,3,4,5)6;;/h2*1-5H;2*1H3;;;;/q;;;;2*-1;;.
What are the key properties of bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate?
bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate has a molecular weight of 719.05 g/mol, XLogP of 9.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate is sourced from PubChem (CID 139183199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).