bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane

C82H90P9Pd2+9 — CID 11980709

IUPACbis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane
SMILESCC(C[PH+](c1ccccc1)c1ccccc1)(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.CC(C[PH+](c1ccccc1)c1ccccc1)(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.[PH2+]1[PH2+][PH2+]1.[Pd].[Pd]
InChIInChI=1S/2C41H39P3.H6P3.2Pd/c2*1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;1-2-3-1;;/h2*2-31H,32-34H2,1H3;1-3H2;;/q;;+3;;/p+6
InChIKeyTVRSWXKWUFCHKE-UHFFFAOYSA-T
MW1567.23 g/mol
LogP16.15
Rot. Bonds24

About bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane

bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane (PubChem CID 11980709) has the molecular formula C82H90P9Pd2+9 and a molecular weight of 1567.23 g/mol. Its IUPAC name is bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane.

Molecular Properties

Compound Namebis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane
PubChem CID11980709
Molecular FormulaC82H90P9Pd2+9
Molecular Weight1567.23 g/mol
Exact Mass1565.27
IUPAC Namebis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane
SMILESCC(C[PH+](c1ccccc1)c1ccccc1)(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.CC(C[PH+](c1ccccc1)c1ccccc1)(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.[PH2+]1[PH2+][PH2+]1.[Pd].[Pd]
InChIInChI=1S/2C41H39P3.H6P3.2Pd/c2*1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;1-2-3-1;;/h2*2-31H,32-34H2,1H3;1-3H2;;/q;;+3;;/p+6
InChIKeyTVRSWXKWUFCHKE-UHFFFAOYSA-T
XLogP16.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001567.23
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium;nickel;sulfanide
CID 6398064
dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium
CID 6394462
bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide
CID 11980496
dichlorocobalt;2-diphenylphosphaniumylethyl(diphenyl)phosphanium
CID 6392659
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)
CID 134971058
CID 6397995
CID 6397995
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)
CID 6390174
CID 123229942
CID 123229942
2,2-dimethylpropoxy(diphenyl)phosphanium
CID 23415245

Frequently Asked Questions

What is the IUPAC name of bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane?
The IUPAC name of bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane (CID 11980709) is bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane.
What is the SMILES notation for bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane?
The canonical SMILES for bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane is CC(C[PH+](c1ccccc1)c1ccccc1)(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.CC(C[PH+](c1ccccc1)c1ccccc1)(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.[PH2+]1[PH2+][PH2+]1.[Pd].[Pd].
What is the InChIKey of bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane?
The InChIKey is TVRSWXKWUFCHKE-UHFFFAOYSA-T. The full InChI is InChI=1S/2C41H39P3.H6P3.2Pd/c2*1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;1-2-3-1;;/h2*2-31H,32-34H2,1H3;1-3H2;;/q;;+3;;/p+6.
What are the key properties of bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane?
bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane has a molecular weight of 1567.23 g/mol, XLogP of 16.15, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis([3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium);bis(palladium);triphosphirane is sourced from PubChem (CID 11980709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).