zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride

C78H64ClFP4PdZn+2 — CID 173077921

IUPACzinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride
SMILESFc1cc[c-]cc1.[Cl-].[Pd+2].[Zn+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C6H4F.ClH.Pd.Zn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;;;/h4*1-15H;2-5H;1H;;/q;;;;-1;;2*+2/p-1
InChIKeyQGVHFPMFBKSMSM-UHFFFAOYSA-M
MW1351.53 g/mol
LogP12.40
Rot. Bonds12

About zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride

zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride (PubChem CID 173077921) has the molecular formula C78H64ClFP4PdZn+2 and a molecular weight of 1351.53 g/mol. Its IUPAC name is zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride.

Molecular Properties

Compound Namezinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride
PubChem CID173077921
Molecular FormulaC78H64ClFP4PdZn+2
Molecular Weight1351.53 g/mol
Exact Mass1348.19
IUPAC Namezinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride
SMILESFc1cc[c-]cc1.[Cl-].[Pd+2].[Zn+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C6H4F.ClH.Pd.Zn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;;;/h4*1-15H;2-5H;1H;;/q;;;;-1;;2*+2/p-1
InChIKeyQGVHFPMFBKSMSM-UHFFFAOYSA-M
XLogP12.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.53
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
triphenylphosphane;yttrium
CID 139917776
benzene;bromopalladium(1+);bis(triphenylphosphane)
CID 24939776
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
sodium fluorobenzene
CID 86652199
ruthenium(2+);tetrakis(triphenylphosphane);dichloride
CID 46940376
phosphanium;tris(triphenylphosphane);chloride
CID 160938283
ruthenium(2+);triphenylphosphane;chloride
CID 56645241
fluorobenzene;rhenium
CID 152526362
triphenylphosphane
CID 139056248
CID 161076244
CID 161076244
fluorobenzene;zinc;hydrobromide
CID 87180748

Frequently Asked Questions

What is the IUPAC name of zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride?
The IUPAC name of zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride (CID 173077921) is zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride.
What is the SMILES notation for zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride?
The canonical SMILES for zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride is Fc1cc[c-]cc1.[Cl-].[Pd+2].[Zn+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride?
The InChIKey is QGVHFPMFBKSMSM-UHFFFAOYSA-M. The full InChI is InChI=1S/4C18H15P.C6H4F.ClH.Pd.Zn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;;;/h4*1-15H;2-5H;1H;;/q;;;;-1;;2*+2/p-1.
What are the key properties of zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride?
zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride has a molecular weight of 1351.53 g/mol, XLogP of 12.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride is sourced from PubChem (CID 173077921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).