dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)

C44H36Cl2P2Pd-2 — CID 156694955

IUPACdichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)
SMILESCl[Pd]Cl.[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.2C10H7.2ClH.Pd/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;;;/h2*1-10,13H;2*1-7H;2*1H;/q;;2*-1;;;+2/p-2
InChIKeyXKMLURNXTUTXMA-UHFFFAOYSA-L
MW804.05 g/mol
LogP11.29
Rot. Bonds4

About dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)

dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide) (PubChem CID 156694955) has the molecular formula C44H36Cl2P2Pd-2 and a molecular weight of 804.05 g/mol. Its IUPAC name is dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide).

Molecular Properties

Compound Namedichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)
PubChem CID156694955
Molecular FormulaC44H36Cl2P2Pd-2
Molecular Weight804.05 g/mol
Exact Mass802.07
IUPAC Namedichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)
SMILESCl[Pd]Cl.[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.2C10H7.2ClH.Pd/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;;;/h2*1-10,13H;2*1-7H;2*1H;/q;;2*-1;;;+2/p-2
InChIKeyXKMLURNXTUTXMA-UHFFFAOYSA-L
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.05
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)
CID 174537984
tetrakis(1H-naphthalen-1-ide);thorium(4+)
CID 159130001
zinc bis(1H-naphthalen-1-ide)
CID 54742063
dichloropalladium;diphenylphosphane;iron
CID 175532989
lithium;carbon monoxide;chromium;1H-naphthalen-1-ide
CID 134898743
diphenylphosphane;zinc
CID 160591319
bis(diphenylphosphane);zinc
CID 160732089
bis(diphenylphosphane);nickel
CID 172733587
diphenylphosphane;trichlororuthenium
CID 162065304
dichloromethane;diphenylphosphane
CID 158269242
bis(1H-naphthalen-1-ide);bis(naphthalen-1-ol);oxotitanium(2+)
CID 88801704
bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
CID 18326967

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)?
The IUPAC name of dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide) (CID 156694955) is dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide).
What is the SMILES notation for dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)?
The canonical SMILES for dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide) is Cl[Pd]Cl.[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)?
The InChIKey is XKMLURNXTUTXMA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H11P.2C10H7.2ClH.Pd/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;;;/h2*1-10,13H;2*1-7H;2*1H;/q;;2*-1;;;+2/p-2.
What are the key properties of dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)?
dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide) has a molecular weight of 804.05 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide) is sourced from PubChem (CID 156694955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).