diphenylphosphinoselenoylimino(diphenyl)phosphanium

C24H20NP2Se+ — CID 15245898

IUPACdiphenylphosphinoselenoylimino(diphenyl)phosphanium
SMILES[Se]=P(N=[P+](c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20NP2Se/c28-27(23-17-9-3-10-18-23,24-19-11-4-12-20-24)25-26(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H/q+1
InChIKeyOKLKXSKOEJRXGI-UHFFFAOYSA-N
MW463.34 g/mol
LogP4.97
Rot. Bonds5

About diphenylphosphinoselenoylimino(diphenyl)phosphanium

diphenylphosphinoselenoylimino(diphenyl)phosphanium (PubChem CID 15245898) has the molecular formula C24H20NP2Se+ and a molecular weight of 463.34 g/mol. Its IUPAC name is diphenylphosphinoselenoylimino(diphenyl)phosphanium.

Molecular Properties

Compound Namediphenylphosphinoselenoylimino(diphenyl)phosphanium
PubChem CID15245898
Molecular FormulaC24H20NP2Se+
Molecular Weight463.34 g/mol
Exact Mass464.02
IUPAC Namediphenylphosphinoselenoylimino(diphenyl)phosphanium
SMILES[Se]=P(N=[P+](c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20NP2Se/c28-27(23-17-9-3-10-18-23,24-19-11-4-12-20-24)25-26(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H/q+1
InChIKeyOKLKXSKOEJRXGI-UHFFFAOYSA-N
XLogP4.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenylphosphinoselenoylimino(diphenyl)phosphanium?
The IUPAC name of diphenylphosphinoselenoylimino(diphenyl)phosphanium (CID 15245898) is diphenylphosphinoselenoylimino(diphenyl)phosphanium.
What is the SMILES notation for diphenylphosphinoselenoylimino(diphenyl)phosphanium?
The canonical SMILES for diphenylphosphinoselenoylimino(diphenyl)phosphanium is [Se]=P(N=[P+](c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphinoselenoylimino(diphenyl)phosphanium?
The InChIKey is OKLKXSKOEJRXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NP2Se/c28-27(23-17-9-3-10-18-23,24-19-11-4-12-20-24)25-26(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H/q+1.
What are the key properties of diphenylphosphinoselenoylimino(diphenyl)phosphanium?
diphenylphosphinoselenoylimino(diphenyl)phosphanium has a molecular weight of 463.34 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphinoselenoylimino(diphenyl)phosphanium is sourced from PubChem (CID 15245898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).