triphenoxy(tritio)phosphanium

C18H16O3P+ — CID 174541246

IUPACtriphenoxy(tritio)phosphanium
SMILES[3H][P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H16O3P/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/q+1/i22T
InChIKeyHHYAGVHIKMVXGV-SURVTVKHSA-N
MW313.31 g/mol
LogP5.18
Rot. Bonds6

About triphenoxy(tritio)phosphanium

triphenoxy(tritio)phosphanium (PubChem CID 174541246) has the molecular formula C18H16O3P+ and a molecular weight of 313.31 g/mol. Its IUPAC name is triphenoxy(tritio)phosphanium.

Molecular Properties

Compound Nametriphenoxy(tritio)phosphanium
PubChem CID174541246
Molecular FormulaC18H16O3P+
Molecular Weight313.31 g/mol
Exact Mass313.09
IUPAC Nametriphenoxy(tritio)phosphanium
SMILES[3H][P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H16O3P/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/q+1/i22T
InChIKeyHHYAGVHIKMVXGV-SURVTVKHSA-N
XLogP5.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.31
LogP ≤ 55.18
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

triphenoxyphosphanium iodide
CID 19082624
CID 50897329
CID 50897329
CID 173029563
CID 173029563
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
azane;phenylperoxybenzene
CID 174490395
methyl(tetraphenoxy)-lambda5-phosphane
CID 14294612
phenoxy hypofluorite;hydrochloride
CID 161041711
potassium;hydride;phenylperoxybenzene
CID 174274599
potassium;hydride;phenoxybenzene
CID 173391576
phenoxybismuthane
CID 172997794

Frequently Asked Questions

What is the IUPAC name of triphenoxy(tritio)phosphanium?
The IUPAC name of triphenoxy(tritio)phosphanium (CID 174541246) is triphenoxy(tritio)phosphanium.
What is the SMILES notation for triphenoxy(tritio)phosphanium?
The canonical SMILES for triphenoxy(tritio)phosphanium is [3H][P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of triphenoxy(tritio)phosphanium?
The InChIKey is HHYAGVHIKMVXGV-SURVTVKHSA-N. The full InChI is InChI=1S/C18H16O3P/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/q+1/i22T.
What are the key properties of triphenoxy(tritio)phosphanium?
triphenoxy(tritio)phosphanium has a molecular weight of 313.31 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenoxy(tritio)phosphanium is sourced from PubChem (CID 174541246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).