diphenoxy(phenylselanyl)phosphane

C18H15O2PSe — CID 135023315

IUPACdiphenoxy(phenylselanyl)phosphane
SMILESc1ccc(OP(Oc2ccccc2)[Se]c2ccccc2)cc1
InChIInChI=1S/C18H15O2PSe/c1-4-10-16(11-5-1)19-21(20-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKeySPACUWPNIMZZKD-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.40
Rot. Bonds6

About diphenoxy(phenylselanyl)phosphane

diphenoxy(phenylselanyl)phosphane (PubChem CID 135023315) has the molecular formula C18H15O2PSe and a molecular weight of 373.25 g/mol. Its IUPAC name is diphenoxy(phenylselanyl)phosphane.

Molecular Properties

Compound Namediphenoxy(phenylselanyl)phosphane
PubChem CID135023315
Molecular FormulaC18H15O2PSe
Molecular Weight373.25 g/mol
Exact Mass374.00
IUPAC Namediphenoxy(phenylselanyl)phosphane
SMILESc1ccc(OP(Oc2ccccc2)[Se]c2ccccc2)cc1
InChIInChI=1S/C18H15O2PSe/c1-4-10-16(11-5-1)19-21(20-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKeySPACUWPNIMZZKD-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 diphenoxy(phenylselanyl)phosphane?
The IUPAC name of diphenoxy(phenylselanyl)phosphane (CID 135023315) is diphenoxy(phenylselanyl)phosphane.
What is the SMILES notation for diphenoxy(phenylselanyl)phosphane?
The canonical SMILES for diphenoxy(phenylselanyl)phosphane is c1ccc(OP(Oc2ccccc2)[Se]c2ccccc2)cc1.
What is the InChIKey of diphenoxy(phenylselanyl)phosphane?
The InChIKey is SPACUWPNIMZZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O2PSe/c1-4-10-16(11-5-1)19-21(20-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H.
What are the key properties of diphenoxy(phenylselanyl)phosphane?
diphenoxy(phenylselanyl)phosphane has a molecular weight of 373.25 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxy(phenylselanyl)phosphane is sourced from PubChem (CID 135023315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).