dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane

C27H25Cl2P2Pd- — CID 57485277

IUPACdichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane
SMILESCl[Pd]Cl.c1ccc(P([CH-]CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25P2.2ClH.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-22H,13,23H2;2*1H;/q-1;;;+2/p-2
InChIKeyHVDGEOKXYSLFFU-UHFFFAOYSA-L
MW588.77 g/mol
LogP7.18
Rot. Bonds8

About dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane

dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane (PubChem CID 57485277) has the molecular formula C27H25Cl2P2Pd- and a molecular weight of 588.77 g/mol. Its IUPAC name is dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane.

Molecular Properties

Compound Namedichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane
PubChem CID57485277
Molecular FormulaC27H25Cl2P2Pd-
Molecular Weight588.77 g/mol
Exact Mass586.98
IUPAC Namedichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane
SMILESCl[Pd]Cl.c1ccc(P([CH-]CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25P2.2ClH.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-22H,13,23H2;2*1H;/q-1;;;+2/p-2
InChIKeyHVDGEOKXYSLFFU-UHFFFAOYSA-L
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.77
LogP ≤ 57.18
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

bis(benzyl(diphenyl)phosphane);dichloropalladium
CID 134992154
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
dichloropalladium;bis(ethyl(diphenyl)phosphane)
CID 22638849
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
dichloronickel;bis(diphenyl(propyl)phosphane)
CID 87129784
dichloroiron;diphenyl(propyl)phosphane
CID 175149268
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
CID 13086823
CID 13086823

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane?
The IUPAC name of dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane (CID 57485277) is dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane.
What is the SMILES notation for dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane?
The canonical SMILES for dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane is Cl[Pd]Cl.c1ccc(P([CH-]CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane?
The InChIKey is HVDGEOKXYSLFFU-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H25P2.2ClH.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-22H,13,23H2;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane?
dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane has a molecular weight of 588.77 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane is sourced from PubChem (CID 57485277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).