bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate

C36H30N8O4S — CID 57090548

IUPACbis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate
SMILESO=S(=O)(ONN(c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1)ONN(c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C36H30N8O4S/c45-49(46,47-41-43(33-17-9-3-10-18-33)35-25-21-31(22-26-35)39-37-29-13-5-1-6-14-29)48-42-44(34-19-11-4-12-20-34)36-27-23-32(24-28-36)40-38-30-15-7-2-8-16-30/h1-28,41-42H/b39-37+,40-38+
InChIKeyHTHSTNHXKVGSIK-HVMBLDELSA-N
MW670.76 g/mol
LogP9.61
Rot. Bonds14

About bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate

bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate (PubChem CID 57090548) has the molecular formula C36H30N8O4S and a molecular weight of 670.76 g/mol. Its IUPAC name is bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate.

Molecular Properties

Compound Namebis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate
PubChem CID57090548
Molecular FormulaC36H30N8O4S
Molecular Weight670.76 g/mol
Exact Mass670.21
IUPAC Namebis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate
SMILESO=S(=O)(ONN(c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1)ONN(c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C36H30N8O4S/c45-49(46,47-41-43(33-17-9-3-10-18-33)35-25-21-31(22-26-35)39-37-29-13-5-1-6-14-29)48-42-44(34-19-11-4-12-20-34)36-27-23-32(24-28-36)40-38-30-15-7-2-8-16-30/h1-28,41-42H/b39-37+,40-38+
InChIKeyHTHSTNHXKVGSIK-HVMBLDELSA-N
XLogP9.61
TPSA132.58 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500670.76
LogP ≤ 59.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate?
The IUPAC name of bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate (CID 57090548) is bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate.
What is the SMILES notation for bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate?
The canonical SMILES for bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate is O=S(=O)(ONN(c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1)ONN(c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate?
The InChIKey is HTHSTNHXKVGSIK-HVMBLDELSA-N. The full InChI is InChI=1S/C36H30N8O4S/c45-49(46,47-41-43(33-17-9-3-10-18-33)35-25-21-31(22-26-35)39-37-29-13-5-1-6-14-29)48-42-44(34-19-11-4-12-20-34)36-27-23-32(24-28-36)40-38-30-15-7-2-8-16-30/h1-28,41-42H/b39-37+,40-38+.
What are the key properties of bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate?
bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate has a molecular weight of 670.76 g/mol, XLogP of 9.61, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate is sourced from PubChem (CID 57090548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).