pentakis(palladium);hexadecakis(triphenylphosphane)

C288H240P16Pd5 — CID 173116735

IUPACpentakis(palladium);hexadecakis(triphenylphosphane)
SMILES[Pd].[Pd].[Pd].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/16C18H15P.5Pd/c16*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;/h16*1-15H;;;;;
InChIKeyZFMGTUCLCNXHCT-UHFFFAOYSA-N
MW4728.77 g/mol
LogP55.10
Rot. Bonds48

About pentakis(palladium);hexadecakis(triphenylphosphane)

pentakis(palladium);hexadecakis(triphenylphosphane) (PubChem CID 173116735) has the molecular formula C288H240P16Pd5 and a molecular weight of 4728.77 g/mol. Its IUPAC name is pentakis(palladium);hexadecakis(triphenylphosphane).

Molecular Properties

Compound Namepentakis(palladium);hexadecakis(triphenylphosphane)
PubChem CID173116735
Molecular FormulaC288H240P16Pd5
Molecular Weight4728.77 g/mol
Exact Mass4722.98
IUPAC Namepentakis(palladium);hexadecakis(triphenylphosphane)
SMILES[Pd].[Pd].[Pd].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/16C18H15P.5Pd/c16*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;/h16*1-15H;;;;;
InChIKeyZFMGTUCLCNXHCT-UHFFFAOYSA-N
XLogP55.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms309
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004728.77
LogP ≤ 555.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 10122028
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CID 174683160
methane;palladium;triphenylphosphane
CID 90407786
triphenylphosphane
CID 139056248
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
silane;triphenylphosphane
CID 161037280
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of pentakis(palladium);hexadecakis(triphenylphosphane)?
The IUPAC name of pentakis(palladium);hexadecakis(triphenylphosphane) (CID 173116735) is pentakis(palladium);hexadecakis(triphenylphosphane).
What is the SMILES notation for pentakis(palladium);hexadecakis(triphenylphosphane)?
The canonical SMILES for pentakis(palladium);hexadecakis(triphenylphosphane) is [Pd].[Pd].[Pd].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of pentakis(palladium);hexadecakis(triphenylphosphane)?
The InChIKey is ZFMGTUCLCNXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/16C18H15P.5Pd/c16*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;/h16*1-15H;;;;;.
What are the key properties of pentakis(palladium);hexadecakis(triphenylphosphane)?
pentakis(palladium);hexadecakis(triphenylphosphane) has a molecular weight of 4728.77 g/mol, XLogP of 55.10, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(palladium);hexadecakis(triphenylphosphane) is sourced from PubChem (CID 173116735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).