diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane

C31H26O3P2 — CID 631810

IUPACdiphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane
SMILESO=P(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C31H26O3P2/c32-36(33-27-16-6-1-7-17-27,34-28-18-8-2-9-19-28)26-35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H
InChIKeyNOUUDSDXCIQGKJ-UHFFFAOYSA-N
MW508.49 g/mol
LogP7.09
Rot. Bonds8

About diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane

diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane (PubChem CID 631810) has the molecular formula C31H26O3P2 and a molecular weight of 508.49 g/mol. Its IUPAC name is diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane.

Molecular Properties

Compound Namediphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane
PubChem CID631810
Molecular FormulaC31H26O3P2
Molecular Weight508.49 g/mol
Exact Mass508.14
IUPAC Namediphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane
SMILESO=P(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C31H26O3P2/c32-36(33-27-16-6-1-7-17-27,34-28-18-8-2-9-19-28)26-35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H
InChIKeyNOUUDSDXCIQGKJ-UHFFFAOYSA-N
XLogP7.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.49
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane?
The IUPAC name of diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane (CID 631810) is diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane.
What is the SMILES notation for diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane?
The canonical SMILES for diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane is O=P(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane?
The InChIKey is NOUUDSDXCIQGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O3P2/c32-36(33-27-16-6-1-7-17-27,34-28-18-8-2-9-19-28)26-35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H.
What are the key properties of diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane?
diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane has a molecular weight of 508.49 g/mol, XLogP of 7.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyphosphorylmethylidene(triphenyl)-lambda5-phosphane is sourced from PubChem (CID 631810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).