[diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium

C29H30IO3P2+ — CID 73055193

IUPAC[diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium
SMILESCCOP(=O)(OCC)C([I+]c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30IO3P2/c1-3-32-35(31,33-4-2)29(30-25-17-9-5-10-18-25)34(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,3-4H2,1-2H3/q+1
InChIKeyMKOURPLIZOPZSI-UHFFFAOYSA-N
MW615.41 g/mol
LogP3.29
Rot. Bonds10

About [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium

[diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium (PubChem CID 73055193) has the molecular formula C29H30IO3P2+ and a molecular weight of 615.41 g/mol. Its IUPAC name is [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium.

Molecular Properties

Compound Name[diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium
PubChem CID73055193
Molecular FormulaC29H30IO3P2+
Molecular Weight615.41 g/mol
Exact Mass615.07
IUPAC Name[diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium
SMILESCCOP(=O)(OCC)C([I+]c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30IO3P2/c1-3-32-35(31,33-4-2)29(30-25-17-9-5-10-18-25)34(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,3-4H2,1-2H3/q+1
InChIKeyMKOURPLIZOPZSI-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
CID 11335470
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
1-[(2S,3S,5S)-5-diethoxyphosphoryl-2-phenylpyrrolidin-3-yl]ethanone
CID 139254814
(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine
CID 11398376
(2S)-2-[[ethoxy(phenyl)phosphoryl]amino]-3-methylbutanoic acid
CID 71426419
1-diethoxyphosphoryl-N-phenylmethanethioamide
CID 14508989
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755

Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium?
The IUPAC name of [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium (CID 73055193) is [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium.
What is the SMILES notation for [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium?
The canonical SMILES for [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium is CCOP(=O)(OCC)C([I+]c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium?
The InChIKey is MKOURPLIZOPZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30IO3P2/c1-3-32-35(31,33-4-2)29(30-25-17-9-5-10-18-25)34(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,3-4H2,1-2H3/q+1.
What are the key properties of [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium?
[diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium has a molecular weight of 615.41 g/mol, XLogP of 3.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium is sourced from PubChem (CID 73055193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).