palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium

C38H34P2Pd+2 — CID 87290696

IUPACpalladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
SMILES[Pd].c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34P2.Pd/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;/h1-30H,31-32H2;/q+2;
InChIKeyVCAHRUWSXSXTED-UHFFFAOYSA-N
MW659.06 g/mol
LogP6.97
Rot. Bonds9

About palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium

palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium (PubChem CID 87290696) has the molecular formula C38H34P2Pd+2 and a molecular weight of 659.06 g/mol. Its IUPAC name is palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium.

Molecular Properties

Compound Namepalladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
PubChem CID87290696
Molecular FormulaC38H34P2Pd+2
Molecular Weight659.06 g/mol
Exact Mass658.12
IUPAC Namepalladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
SMILES[Pd].c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34P2.Pd/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;/h1-30H,31-32H2;/q+2;
InChIKeyVCAHRUWSXSXTED-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.06
LogP ≤ 56.97
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

triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
2-hydroxyethyl(triphenyl)phosphanium bromide
CID 2733550
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
3,3-dimethoxypropyl(triphenyl)phosphanium
CID 10621039
triphenyl(2-phenylethyl)phosphanium chloride
CID 88746248
4-iodobutyl(triphenyl)phosphanium
CID 16760510
4-fluorobutyl(triphenyl)phosphanium
CID 21187191
8-bromooctyl(triphenyl)phosphanium
CID 11991463
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572

Frequently Asked Questions

What is the IUPAC name of palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium?
The IUPAC name of palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium (CID 87290696) is palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium.
What is the SMILES notation for palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium?
The canonical SMILES for palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium is [Pd].c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium?
The InChIKey is VCAHRUWSXSXTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34P2.Pd/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;/h1-30H,31-32H2;/q+2;.
What are the key properties of palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium?
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium has a molecular weight of 659.06 g/mol, XLogP of 6.97, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium is sourced from PubChem (CID 87290696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).