hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium

C26H22AsF6O3P — CID 20503509

IUPAChexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium
SMILESCOC(=O)c1ccc(O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.F[As-](F)(F)(F)(F)F
InChIInChI=1S/C26H22O3P.AsF6/c1-28-26(27)21-17-19-22(20-18-21)29-30(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;2-1(3,4,5,6)7/h2-20H,1H3;/q+1;-1
InChIKeyNYVHRRJLRNKOSQ-UHFFFAOYSA-N
MW602.34 g/mol
LogP6.90
Rot. Bonds6

About hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium

hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium (PubChem CID 20503509) has the molecular formula C26H22AsF6O3P and a molecular weight of 602.34 g/mol. Its IUPAC name is hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium.

Molecular Properties

Compound Namehexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium
PubChem CID20503509
Molecular FormulaC26H22AsF6O3P
Molecular Weight602.34 g/mol
Exact Mass602.04
IUPAC Namehexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium
SMILESCOC(=O)c1ccc(O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.F[As-](F)(F)(F)(F)F
InChIInChI=1S/C26H22O3P.AsF6/c1-28-26(27)21-17-19-22(20-18-21)29-30(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;2-1(3,4,5,6)7/h2-20H,1H3;/q+1;-1
InChIKeyNYVHRRJLRNKOSQ-UHFFFAOYSA-N
XLogP6.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.34
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxycarbonylphenyl)-triphenylphosphanium
CID 19810472
(4-methoxycarbonylphenyl)-methyl-diphenylphosphanium
CID 19831324
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
ethane;methoxymethane;methyl benzoate
CID 90999424
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
methyl 4-[bis(phenylmethoxy)methoxy]benzoate
CID 142638924
methyl 4-methoxycarbonyloxybenzoate
CID 584598
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
CID 170457455

Frequently Asked Questions

What is the IUPAC name of hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium?
The IUPAC name of hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium (CID 20503509) is hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium.
What is the SMILES notation for hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium?
The canonical SMILES for hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium is COC(=O)c1ccc(O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.F[As-](F)(F)(F)(F)F.
What is the InChIKey of hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium?
The InChIKey is NYVHRRJLRNKOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O3P.AsF6/c1-28-26(27)21-17-19-22(20-18-21)29-30(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;2-1(3,4,5,6)7/h2-20H,1H3;/q+1;-1.
What are the key properties of hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium?
hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium has a molecular weight of 602.34 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium is sourced from PubChem (CID 20503509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).