hydrogen sulfate;2,4,6-triphenylpyrylium

C23H18O5S — CID 11729198

IUPAChydrogen sulfate;2,4,6-triphenylpyrylium
SMILESO=S(=O)([O-])O.c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H17O.H2O4S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;1-5(2,3)4/h1-17H;(H2,1,2,3,4)/q+1;/p-1
InChIKeyIPEOZISWOGHJJY-UHFFFAOYSA-M
MW406.46 g/mol
LogP5.57
Rot. Bonds3

About hydrogen sulfate;2,4,6-triphenylpyrylium

hydrogen sulfate;2,4,6-triphenylpyrylium (PubChem CID 11729198) has the molecular formula C23H18O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is hydrogen sulfate;2,4,6-triphenylpyrylium.

Molecular Properties

Compound Namehydrogen sulfate;2,4,6-triphenylpyrylium
PubChem CID11729198
Molecular FormulaC23H18O5S
Molecular Weight406.46 g/mol
Exact Mass406.09
IUPAC Namehydrogen sulfate;2,4,6-triphenylpyrylium
SMILESO=S(=O)([O-])O.c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H17O.H2O4S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;1-5(2,3)4/h1-17H;(H2,1,2,3,4)/q+1;/p-1
InChIKeyIPEOZISWOGHJJY-UHFFFAOYSA-M
XLogP5.57
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;2,4,6-triphenylpyrylium?
The IUPAC name of hydrogen sulfate;2,4,6-triphenylpyrylium (CID 11729198) is hydrogen sulfate;2,4,6-triphenylpyrylium.
What is the SMILES notation for hydrogen sulfate;2,4,6-triphenylpyrylium?
The canonical SMILES for hydrogen sulfate;2,4,6-triphenylpyrylium is O=S(=O)([O-])O.c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1.
What is the InChIKey of hydrogen sulfate;2,4,6-triphenylpyrylium?
The InChIKey is IPEOZISWOGHJJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17O.H2O4S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;1-5(2,3)4/h1-17H;(H2,1,2,3,4)/q+1;/p-1.
What are the key properties of hydrogen sulfate;2,4,6-triphenylpyrylium?
hydrogen sulfate;2,4,6-triphenylpyrylium has a molecular weight of 406.46 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;2,4,6-triphenylpyrylium is sourced from PubChem (CID 11729198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).