1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane

C32H28O3P2 — CID 621814

IUPAC1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane
SMILESCC(P(=O)(Oc1ccccc1)Oc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H28O3P2/c1-27(37(33,34-28-17-7-2-8-18-28)35-29-19-9-3-10-20-29)36(30-21-11-4-12-22-30,31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-26H,1H3
InChIKeyPEAOMHGYBZMFSD-UHFFFAOYSA-N
MW522.52 g/mol
LogP7.48
Rot. Bonds8

About 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane

1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane (PubChem CID 621814) has the molecular formula C32H28O3P2 and a molecular weight of 522.52 g/mol. Its IUPAC name is 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane.

Molecular Properties

Compound Name1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane
PubChem CID621814
Molecular FormulaC32H28O3P2
Molecular Weight522.52 g/mol
Exact Mass522.15
IUPAC Name1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane
SMILESCC(P(=O)(Oc1ccccc1)Oc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H28O3P2/c1-27(37(33,34-28-17-7-2-8-18-28)35-29-19-9-3-10-20-29)36(30-21-11-4-12-22-30,31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-26H,1H3
InChIKeyPEAOMHGYBZMFSD-UHFFFAOYSA-N
XLogP7.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.52
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(phenyl)phosphoryl]oxybenzene
CID 91326926
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;dihydrate
CID 21115845
bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
CID 4028958
diphenyl hydrogen phosphate;silane
CID 175425543
sodium phenoxy(phenyl)phosphinate
CID 161254659
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
phenoxy(phenyl)phosphinic acid;phosphenous acid
CID 174870906
[hydroxy(phenoxy)phosphoryl] acetate
CID 10198286
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863

Frequently Asked Questions

What is the IUPAC name of 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane?
The IUPAC name of 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane (CID 621814) is 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane.
What is the SMILES notation for 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane?
The canonical SMILES for 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane is CC(P(=O)(Oc1ccccc1)Oc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane?
The InChIKey is PEAOMHGYBZMFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O3P2/c1-27(37(33,34-28-17-7-2-8-18-28)35-29-19-9-3-10-20-29)36(30-21-11-4-12-22-30,31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-26H,1H3.
What are the key properties of 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane?
1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane has a molecular weight of 522.52 g/mol, XLogP of 7.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane is sourced from PubChem (CID 621814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).