dioxopalladium;triphenylphosphanium

C18H16O2PPd+ — CID 174842290

IUPACdioxopalladium;triphenylphosphanium
SMILESO=[Pd]=O.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2O.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;;;/p+1
InChIKeyAIHOQXHSEQSOPK-UHFFFAOYSA-O
MW401.72 g/mol
LogP2.94
Rot. Bonds3

About dioxopalladium;triphenylphosphanium

dioxopalladium;triphenylphosphanium (PubChem CID 174842290) has the molecular formula C18H16O2PPd+ and a molecular weight of 401.72 g/mol. Its IUPAC name is dioxopalladium;triphenylphosphanium.

Molecular Properties

Compound Namedioxopalladium;triphenylphosphanium
PubChem CID174842290
Molecular FormulaC18H16O2PPd+
Molecular Weight401.72 g/mol
Exact Mass400.99
IUPAC Namedioxopalladium;triphenylphosphanium
SMILESO=[Pd]=O.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2O.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;;;/p+1
InChIKeyAIHOQXHSEQSOPK-UHFFFAOYSA-O
XLogP2.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.72
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
formaldehyde;ruthenium;tris(triphenylphosphanium)
CID 22165433
methanone;ruthenium(4+);triphenylphosphanium
CID 87465370
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
carbanide;nickel;triphenylphosphanium
CID 87436309
methanone;rhodium(2+);bis(triphenylphosphanium);chloride
CID 71463886
CID 158163106
CID 158163106
nickel;tris(trifluorophosphanium);triphenylphosphanium
CID 154702811
carbon monoxide;molybdenum;bis(triphenylphosphanium)
CID 6327321
dichlororuthenium;tris(triphenylphosphanium)
CID 6373698

Frequently Asked Questions

What is the IUPAC name of dioxopalladium;triphenylphosphanium?
The IUPAC name of dioxopalladium;triphenylphosphanium (CID 174842290) is dioxopalladium;triphenylphosphanium.
What is the SMILES notation for dioxopalladium;triphenylphosphanium?
The canonical SMILES for dioxopalladium;triphenylphosphanium is O=[Pd]=O.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dioxopalladium;triphenylphosphanium?
The InChIKey is AIHOQXHSEQSOPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.2O.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;;;/p+1.
What are the key properties of dioxopalladium;triphenylphosphanium?
dioxopalladium;triphenylphosphanium has a molecular weight of 401.72 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxopalladium;triphenylphosphanium is sourced from PubChem (CID 174842290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).