bis(chloropalladium(1+));bis(diphenyl phenyl phosphite)

C36H28Cl2O6P2Pd2 — CID 71573919

IUPACbis(chloropalladium(1+));bis(diphenyl phenyl phosphite)
SMILESCl[Pd+].Cl[Pd+].[c-]1ccccc1OP(Oc1ccccc1)Oc1ccccc1.[c-]1ccccc1OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/2C18H14O3P.2ClH.2Pd/c2*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;;;;/h2*1-14H;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyDLVAPFPNLBYTMG-UHFFFAOYSA-L
MW902.31 g/mol
LogP11.87
Rot. Bonds12

About bis(chloropalladium(1+));bis(diphenyl phenyl phosphite)

bis(chloropalladium(1+));bis(diphenyl phenyl phosphite) (PubChem CID 71573919) has the molecular formula C36H28Cl2O6P2Pd2 and a molecular weight of 902.31 g/mol. Its IUPAC name is bis(chloropalladium(1+));bis(diphenyl phenyl phosphite).

Molecular Properties

Compound Namebis(chloropalladium(1+));bis(diphenyl phenyl phosphite)
PubChem CID71573919
Molecular FormulaC36H28Cl2O6P2Pd2
Molecular Weight902.31 g/mol
Exact Mass899.88
IUPAC Namebis(chloropalladium(1+));bis(diphenyl phenyl phosphite)
SMILESCl[Pd+].Cl[Pd+].[c-]1ccccc1OP(Oc1ccccc1)Oc1ccccc1.[c-]1ccccc1OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/2C18H14O3P.2ClH.2Pd/c2*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;;;;/h2*1-14H;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyDLVAPFPNLBYTMG-UHFFFAOYSA-L
XLogP11.87
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.31
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
sodium phenylperoxybenzene
CID 174640898
magnesium;phenoxybenzene;chloride
CID 139896734
carbon monoxide;manganese;bis(triphenyl phosphite)
CID 135047588
nickel(2+);nitroxyl anion;bis(triphenyl phosphite);bromide
CID 173453911
chloromethylbenzene;triphenyl phosphite
CID 158515222
triphenyl phosphite sulfite
CID 22067374
nickel(2+);nitroxyl anion;bis(triphenyl phosphite);isothiocyanate
CID 173453712
ethane;methyl diphenyl phosphite
CID 161074644
diphenoxyphosphanyloxymethyl diphenyl phosphite
CID 171611986
methanidyloxybenzene;uranium(2+)
CID 145059965

Frequently Asked Questions

What is the IUPAC name of bis(chloropalladium(1+));bis(diphenyl phenyl phosphite)?
The IUPAC name of bis(chloropalladium(1+));bis(diphenyl phenyl phosphite) (CID 71573919) is bis(chloropalladium(1+));bis(diphenyl phenyl phosphite).
What is the SMILES notation for bis(chloropalladium(1+));bis(diphenyl phenyl phosphite)?
The canonical SMILES for bis(chloropalladium(1+));bis(diphenyl phenyl phosphite) is Cl[Pd+].Cl[Pd+].[c-]1ccccc1OP(Oc1ccccc1)Oc1ccccc1.[c-]1ccccc1OP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of bis(chloropalladium(1+));bis(diphenyl phenyl phosphite)?
The InChIKey is DLVAPFPNLBYTMG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H14O3P.2ClH.2Pd/c2*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;;;;/h2*1-14H;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(chloropalladium(1+));bis(diphenyl phenyl phosphite)?
bis(chloropalladium(1+));bis(diphenyl phenyl phosphite) has a molecular weight of 902.31 g/mol, XLogP of 11.87, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloropalladium(1+));bis(diphenyl phenyl phosphite) is sourced from PubChem (CID 71573919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).