palladium;phosphane;tetrakis(triphenylphosphanium)

C72H67P5Pd+4 — CID 90187474

IUPACpalladium;phosphane;tetrakis(triphenylphosphanium)
SMILESP.[Pd].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.H3P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4*1-15H;1H3;/p+4
InChIKeyGTJZRBGBGXKMQH-UHFFFAOYSA-R
MW1193.62 g/mol
LogP12.76
Rot. Bonds12

About palladium;phosphane;tetrakis(triphenylphosphanium)

palladium;phosphane;tetrakis(triphenylphosphanium) (PubChem CID 90187474) has the molecular formula C72H67P5Pd+4 and a molecular weight of 1193.62 g/mol. Its IUPAC name is palladium;phosphane;tetrakis(triphenylphosphanium).

Molecular Properties

Compound Namepalladium;phosphane;tetrakis(triphenylphosphanium)
PubChem CID90187474
Molecular FormulaC72H67P5Pd+4
Molecular Weight1193.62 g/mol
Exact Mass1192.29
IUPAC Namepalladium;phosphane;tetrakis(triphenylphosphanium)
SMILESP.[Pd].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.H3P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4*1-15H;1H3;/p+4
InChIKeyGTJZRBGBGXKMQH-UHFFFAOYSA-R
XLogP12.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.62
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of palladium;phosphane;tetrakis(triphenylphosphanium)?
The IUPAC name of palladium;phosphane;tetrakis(triphenylphosphanium) (CID 90187474) is palladium;phosphane;tetrakis(triphenylphosphanium).
What is the SMILES notation for palladium;phosphane;tetrakis(triphenylphosphanium)?
The canonical SMILES for palladium;phosphane;tetrakis(triphenylphosphanium) is P.[Pd].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of palladium;phosphane;tetrakis(triphenylphosphanium)?
The InChIKey is GTJZRBGBGXKMQH-UHFFFAOYSA-R. The full InChI is InChI=1S/4C18H15P.H3P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4*1-15H;1H3;/p+4.
What are the key properties of palladium;phosphane;tetrakis(triphenylphosphanium)?
palladium;phosphane;tetrakis(triphenylphosphanium) has a molecular weight of 1193.62 g/mol, XLogP of 12.76, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;phosphane;tetrakis(triphenylphosphanium) is sourced from PubChem (CID 90187474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).