dichloropalladium;ethene;bis(triphenylphosphane)

C38H34Cl2P2Pd — CID 44891218

IUPACdichloropalladium;ethene;bis(triphenylphosphane)
SMILESC=C.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C2H4.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;;/h2*1-15H;1-2H2;2*1H;/q;;;;;+2/p-2
InChIKeyUKEILFVTCTYTRO-UHFFFAOYSA-L
MW729.96 g/mol
LogP9.07
Rot. Bonds6

About dichloropalladium;ethene;bis(triphenylphosphane)

dichloropalladium;ethene;bis(triphenylphosphane) (PubChem CID 44891218) has the molecular formula C38H34Cl2P2Pd and a molecular weight of 729.96 g/mol. Its IUPAC name is dichloropalladium;ethene;bis(triphenylphosphane).

Molecular Properties

Compound Namedichloropalladium;ethene;bis(triphenylphosphane)
PubChem CID44891218
Molecular FormulaC38H34Cl2P2Pd
Molecular Weight729.96 g/mol
Exact Mass728.05
IUPAC Namedichloropalladium;ethene;bis(triphenylphosphane)
SMILESC=C.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C2H4.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;;/h2*1-15H;1-2H2;2*1H;/q;;;;;+2/p-2
InChIKeyUKEILFVTCTYTRO-UHFFFAOYSA-L
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.96
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethene;platinum;triphenylphosphane
CID 11071312
dichloropalladium;diiodocopper;bis(triphenylphosphane)
CID 173103937
triphenylphosphane
CID 139056248
chlorosilver;triphenylphosphane
CID 12824775
chlorogold;triphenylphosphane
CID 10874691
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;ethene;bis(triphenylphosphane)?
The IUPAC name of dichloropalladium;ethene;bis(triphenylphosphane) (CID 44891218) is dichloropalladium;ethene;bis(triphenylphosphane).
What is the SMILES notation for dichloropalladium;ethene;bis(triphenylphosphane)?
The canonical SMILES for dichloropalladium;ethene;bis(triphenylphosphane) is C=C.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloropalladium;ethene;bis(triphenylphosphane)?
The InChIKey is UKEILFVTCTYTRO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C2H4.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;;/h2*1-15H;1-2H2;2*1H;/q;;;;;+2/p-2.
What are the key properties of dichloropalladium;ethene;bis(triphenylphosphane)?
dichloropalladium;ethene;bis(triphenylphosphane) has a molecular weight of 729.96 g/mol, XLogP of 9.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;ethene;bis(triphenylphosphane) is sourced from PubChem (CID 44891218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).