bis(4-phenyldiazenylphenyl) sulfate

C24H18N4O4S — CID 174735060

IUPACbis(4-phenyldiazenylphenyl) sulfate
SMILESO=S(=O)(Oc1ccc(/N=N/c2ccccc2)cc1)Oc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H18N4O4S/c29-33(30,31-23-15-11-21(12-16-23)27-25-19-7-3-1-4-8-19)32-24-17-13-22(14-18-24)28-26-20-9-5-2-6-10-20/h1-18H/b27-25+,28-26+
InChIKeyBUNMHEKEFOVYKC-NBHCHVEOSA-N
MW458.50 g/mol
LogP7.22
Rot. Bonds8

About bis(4-phenyldiazenylphenyl) sulfate

bis(4-phenyldiazenylphenyl) sulfate (PubChem CID 174735060) has the molecular formula C24H18N4O4S and a molecular weight of 458.50 g/mol. Its IUPAC name is bis(4-phenyldiazenylphenyl) sulfate.

Molecular Properties

Compound Namebis(4-phenyldiazenylphenyl) sulfate
PubChem CID174735060
Molecular FormulaC24H18N4O4S
Molecular Weight458.50 g/mol
Exact Mass458.10
IUPAC Namebis(4-phenyldiazenylphenyl) sulfate
SMILESO=S(=O)(Oc1ccc(/N=N/c2ccccc2)cc1)Oc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H18N4O4S/c29-33(30,31-23-15-11-21(12-16-23)27-25-19-7-3-1-4-8-19)32-24-17-13-22(14-18-24)28-26-20-9-5-2-6-10-20/h1-18H/b27-25+,28-26+
InChIKeyBUNMHEKEFOVYKC-NBHCHVEOSA-N
XLogP7.22
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
diphenyldiazene;hydrofluoride
CID 174857584
N-chloro-4-phenyldiazenylaniline
CID 88790195
phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
CID 155046277
bis[2-phenyl-2-(4-phenyldiazenylphenyl)hydrazinyl] sulfate
CID 57090548
bis(4-chlorophenyl) sulfate
CID 57162501
bis(diphenyldiazene);uranium;vanadium
CID 158886927
sodium;hydride;phenyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
CID 174736147
3-(4-phenyldiazenylphenoxy)prop-2-enoic acid
CID 91565799
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
diphenyldiazene;urea
CID 175083568
fluoromethyl phenyl sulfate
CID 87154755

Frequently Asked Questions

What is the IUPAC name of bis(4-phenyldiazenylphenyl) sulfate?
The IUPAC name of bis(4-phenyldiazenylphenyl) sulfate (CID 174735060) is bis(4-phenyldiazenylphenyl) sulfate.
What is the SMILES notation for bis(4-phenyldiazenylphenyl) sulfate?
The canonical SMILES for bis(4-phenyldiazenylphenyl) sulfate is O=S(=O)(Oc1ccc(/N=N/c2ccccc2)cc1)Oc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of bis(4-phenyldiazenylphenyl) sulfate?
The InChIKey is BUNMHEKEFOVYKC-NBHCHVEOSA-N. The full InChI is InChI=1S/C24H18N4O4S/c29-33(30,31-23-15-11-21(12-16-23)27-25-19-7-3-1-4-8-19)32-24-17-13-22(14-18-24)28-26-20-9-5-2-6-10-20/h1-18H/b27-25+,28-26+.
What are the key properties of bis(4-phenyldiazenylphenyl) sulfate?
bis(4-phenyldiazenylphenyl) sulfate has a molecular weight of 458.50 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-phenyldiazenylphenyl) sulfate is sourced from PubChem (CID 174735060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).