dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium)

C48H56Cl2O6P2Pd+2 — CID 88691919

IUPACdichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium)
SMILESCOc1ccc(C[PH+](Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1.COc1ccc(C[PH+](Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1.Cl[Pd]Cl
InChIInChI=1S/2C24H27O3P.2ClH.Pd/c2*1-25-22-10-4-19(5-11-22)16-28(17-20-6-12-23(26-2)13-7-20)18-21-8-14-24(27-3)15-9-21;;;/h2*4-15H,16-18H2,1-3H3;2*1H;/q;;;;+2
InChIKeyFHPJTLROFXIQBL-UHFFFAOYSA-N
MW968.24 g/mol
LogP13.03
Rot. Bonds18

About dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium)

dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium) (PubChem CID 88691919) has the molecular formula C48H56Cl2O6P2Pd+2 and a molecular weight of 968.24 g/mol. Its IUPAC name is dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium).

Molecular Properties

Compound Namedichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium)
PubChem CID88691919
Molecular FormulaC48H56Cl2O6P2Pd+2
Molecular Weight968.24 g/mol
Exact Mass966.20
IUPAC Namedichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium)
SMILESCOc1ccc(C[PH+](Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1.COc1ccc(C[PH+](Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1.Cl[Pd]Cl
InChIInChI=1S/2C24H27O3P.2ClH.Pd/c2*1-25-22-10-4-19(5-11-22)16-28(17-20-6-12-23(26-2)13-7-20)18-21-8-14-24(27-3)15-9-21;;;/h2*4-15H,16-18H2,1-3H3;2*1H;/q;;;;+2
InChIKeyFHPJTLROFXIQBL-UHFFFAOYSA-N
XLogP13.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.24
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium)?
The IUPAC name of dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium) (CID 88691919) is dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium).
What is the SMILES notation for dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium)?
The canonical SMILES for dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium) is COc1ccc(C[PH+](Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1.COc1ccc(C[PH+](Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium)?
The InChIKey is FHPJTLROFXIQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27O3P.2ClH.Pd/c2*1-25-22-10-4-19(5-11-22)16-28(17-20-6-12-23(26-2)13-7-20)18-21-8-14-24(27-3)15-9-21;;;/h2*4-15H,16-18H2,1-3H3;2*1H;/q;;;;+2.
What are the key properties of dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium)?
dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium) has a molecular weight of 968.24 g/mol, XLogP of 13.03, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;bis(tris[(4-methoxyphenyl)methyl]phosphanium) is sourced from PubChem (CID 88691919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).