bis(diphenylazanium);sulfate

C24H24N2O4S — CID 23617105

IUPACbis(diphenylazanium);sulfate
SMILESO=S(=O)([O-])[O-].c1ccc([NH2+]c2ccccc2)cc1.c1ccc([NH2+]c2ccccc2)cc1
InChIInChI=1S/2C12H11N.H2O4S/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h2*1-10,13H;(H2,1,2,3,4)
InChIKeyVOIZJISIVBVMEZ-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.09
Rot. Bonds4

About bis(diphenylazanium);sulfate

bis(diphenylazanium);sulfate (PubChem CID 23617105) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is bis(diphenylazanium);sulfate.

Molecular Properties

Compound Namebis(diphenylazanium);sulfate
PubChem CID23617105
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Namebis(diphenylazanium);sulfate
SMILESO=S(=O)([O-])[O-].c1ccc([NH2+]c2ccccc2)cc1.c1ccc([NH2+]c2ccccc2)cc1
InChIInChI=1S/2C12H11N.H2O4S/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h2*1-10,13H;(H2,1,2,3,4)
InChIKeyVOIZJISIVBVMEZ-UHFFFAOYSA-N
XLogP3.09
TPSA113.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 bis(diphenylazanium);sulfate?
The IUPAC name of bis(diphenylazanium);sulfate (CID 23617105) is bis(diphenylazanium);sulfate.
What is the SMILES notation for bis(diphenylazanium);sulfate?
The canonical SMILES for bis(diphenylazanium);sulfate is O=S(=O)([O-])[O-].c1ccc([NH2+]c2ccccc2)cc1.c1ccc([NH2+]c2ccccc2)cc1.
What is the InChIKey of bis(diphenylazanium);sulfate?
The InChIKey is VOIZJISIVBVMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11N.H2O4S/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h2*1-10,13H;(H2,1,2,3,4).
What are the key properties of bis(diphenylazanium);sulfate?
bis(diphenylazanium);sulfate has a molecular weight of 436.53 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylazanium);sulfate is sourced from PubChem (CID 23617105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).