magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate

C24H17ClMgO7 — CID 6097243

IUPACmagnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate
SMILESO=C([O-])c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1.[Mg+2].[O-][Cl+3]([O-])([O-])[O-].[c-]1ccccc1
InChIInChI=1S/C18H12O3.C6H5.ClHO4.Mg/c19-18(20)15-11-16(13-7-3-1-4-8-13)21-17(12-15)14-9-5-2-6-10-14;1-2-4-6-5-3-1;2-1(3,4)5;/h1-12H;1-5H;(H,2,3,4,5);/q;-1;;+2/p-1
InChIKeyAQGPJPXWSPCURO-UHFFFAOYSA-M
MW477.15 g/mol
LogP-0.39
Rot. Bonds3

About magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate

magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate (PubChem CID 6097243) has the molecular formula C24H17ClMgO7 and a molecular weight of 477.15 g/mol. Its IUPAC name is magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate.

Molecular Properties

Compound Namemagnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate
PubChem CID6097243
Molecular FormulaC24H17ClMgO7
Molecular Weight477.15 g/mol
Exact Mass476.05
IUPAC Namemagnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate
SMILESO=C([O-])c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1.[Mg+2].[O-][Cl+3]([O-])([O-])[O-].[c-]1ccccc1
InChIInChI=1S/C18H12O3.C6H5.ClHO4.Mg/c19-18(20)15-11-16(13-7-3-1-4-8-13)21-17(12-15)14-9-5-2-6-10-14;1-2-4-6-5-3-1;2-1(3,4)5;/h1-12H;1-5H;(H,2,3,4,5);/q;-1;;+2/p-1
InChIKeyAQGPJPXWSPCURO-UHFFFAOYSA-M
XLogP-0.39
TPSA143.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

N,2,6-triphenylpyrylium-4-carboxamide
CID 2751530
[4-(2,6-diphenylpyrylium-4-yl)phenyl] acetate perchlorate
CID 13402286
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
benzoate tetrahydrate
CID 18510013
disodium;4,5-diphenylphthalate
CID 134868371
2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate
CID 134909283
disodium;benzoate
CID 159580825
2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate
CID 14343704
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
azanium benzoate
CID 15830
cerium(3+) tribenzoate
CID 6452877
cobalt(3+) tribenzoate
CID 20537733

Frequently Asked Questions

What is the IUPAC name of magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate?
The IUPAC name of magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate (CID 6097243) is magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate.
What is the SMILES notation for magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate?
The canonical SMILES for magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate is O=C([O-])c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1.[Mg+2].[O-][Cl+3]([O-])([O-])[O-].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate?
The InChIKey is AQGPJPXWSPCURO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H12O3.C6H5.ClHO4.Mg/c19-18(20)15-11-16(13-7-3-1-4-8-13)21-17(12-15)14-9-5-2-6-10-14;1-2-4-6-5-3-1;2-1(3,4)5;/h1-12H;1-5H;(H,2,3,4,5);/q;-1;;+2/p-1.
What are the key properties of magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate?
magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate has a molecular weight of 477.15 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate is sourced from PubChem (CID 6097243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).