triphenoxyphosphanium iodide

C18H16IO3P — CID 19082624

IUPACtriphenoxyphosphanium iodide
SMILES[I-].c1ccc(O[PH+](Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H16O3P.HI/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h1-15,22H;1H/q+1;/p-1
InChIKeyNRYHHPPWSNDNSY-UHFFFAOYSA-M
MW438.20 g/mol
LogP2.19
Rot. Bonds6

About triphenoxyphosphanium iodide

triphenoxyphosphanium iodide (PubChem CID 19082624) has the molecular formula C18H16IO3P and a molecular weight of 438.20 g/mol. Its IUPAC name is triphenoxyphosphanium iodide.

Molecular Properties

Compound Nametriphenoxyphosphanium iodide
PubChem CID19082624
Molecular FormulaC18H16IO3P
Molecular Weight438.20 g/mol
Exact Mass437.99
IUPAC Nametriphenoxyphosphanium iodide
SMILES[I-].c1ccc(O[PH+](Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H16O3P.HI/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h1-15,22H;1H/q+1;/p-1
InChIKeyNRYHHPPWSNDNSY-UHFFFAOYSA-M
XLogP2.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.20
LogP ≤ 52.19
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

CID 50897329
CID 50897329
triphenoxy(tritio)phosphanium
CID 174541246
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
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CID 159259752
CID 159259752
azane;phenylperoxybenzene
CID 174490395
phenoxybismuthane
CID 172997794
potassium;hydride;phenylperoxybenzene
CID 174274599
potassium;hydride;phenoxybenzene
CID 173391576
phenyl hypochlorite;titanium
CID 87675742
methylsulfanyl(phenoxy)phosphanium iodide
CID 23446096
CID 160957875
CID 160957875

Frequently Asked Questions

What is the IUPAC name of triphenoxyphosphanium iodide?
The IUPAC name of triphenoxyphosphanium iodide (CID 19082624) is triphenoxyphosphanium iodide.
What is the SMILES notation for triphenoxyphosphanium iodide?
The canonical SMILES for triphenoxyphosphanium iodide is [I-].c1ccc(O[PH+](Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of triphenoxyphosphanium iodide?
The InChIKey is NRYHHPPWSNDNSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16O3P.HI/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h1-15,22H;1H/q+1;/p-1.
What are the key properties of triphenoxyphosphanium iodide?
triphenoxyphosphanium iodide has a molecular weight of 438.20 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenoxyphosphanium iodide is sourced from PubChem (CID 19082624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).