4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate

C24H16N6O6S2-2 — CID 4263355

IUPAC4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)[O-])cc4)cc3)cc2)cc1
InChIInChI=1S/C24H18N6O6S2/c31-37(32,33)23-13-9-21(10-14-23)29-27-19-5-1-17(2-6-19)25-26-18-3-7-20(8-4-18)28-30-22-11-15-24(16-12-22)38(34,35)36/h1-16H,(H,31,32,33)(H,34,35,36)/p-2/b26-25+,29-27+,30-28+
InChIKeyLEPMWESGZDWBNR-MNDZRGPXSA-L
MW548.56 g/mol
LogP6.74
Rot. Bonds8

About 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate

4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate (PubChem CID 4263355) has the molecular formula C24H16N6O6S2-2 and a molecular weight of 548.56 g/mol. Its IUPAC name is 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate.

Molecular Properties

Compound Name4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate
PubChem CID4263355
Molecular FormulaC24H16N6O6S2-2
Molecular Weight548.56 g/mol
Exact Mass548.06
IUPAC Name4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)[O-])cc4)cc3)cc2)cc1
InChIInChI=1S/C24H18N6O6S2/c31-37(32,33)23-13-9-21(10-14-23)29-27-19-5-1-17(2-6-19)25-26-18-3-7-20(8-4-18)28-30-22-11-15-24(16-12-22)38(34,35)36/h1-16H,(H,31,32,33)(H,34,35,36)/p-2/b26-25+,29-27+,30-28+
InChIKeyLEPMWESGZDWBNR-MNDZRGPXSA-L
XLogP6.74
TPSA188.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500548.56
LogP ≤ 56.74
H-Bond Donors ≤ 50
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis(diaminomethylideneazanium);1,4-dibromobenzene;4-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
CID 139120474
bis(diaminomethylideneazanium);2-(1,3-dithiol-2-ylidene)-1,3-dithiole;4-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
CID 139114855
4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonate
CID 3343252
hexasodium;5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfonato-4-[[3-sulfonato-4-[(E)-2-[2-sulfonato-4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonate
CID 100952539
bis(4-methylsulfonylphenyl)diazene
CID 14045605
sodium 4-[(2,4-dichlorophenyl)diazenyl]benzenesulfonate
CID 23702673
trisodium;4-[2,6-dihydroxy-3,5-bis[(4-sulfonatophenyl)diazenyl]phenyl]benzenesulfonate
CID 165363995
4-[(3-carboxy-4-hydroxyphenyl)diazenyl]benzenesulfonate
CID 3746741
disodium bis(4-[(4-amino-3-sulfophenyl)diazenyl]benzenesulfonate)
CID 141147089
sodium 4-[(3-tert-butyl-4-hydroxyphenyl)diazenyl]benzenesulfonate
CID 137193892
dilithium;5-[(4-methylphenyl)diazenyl]-8-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
CID 59248222
sodium 4-isothiocyanatobenzenesulfonate
CID 23666321

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate?
The IUPAC name of 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate (CID 4263355) is 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate.
What is the SMILES notation for 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate?
The canonical SMILES for 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate is O=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)[O-])cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate?
The InChIKey is LEPMWESGZDWBNR-MNDZRGPXSA-L. The full InChI is InChI=1S/C24H18N6O6S2/c31-37(32,33)23-13-9-21(10-14-23)29-27-19-5-1-17(2-6-19)25-26-18-3-7-20(8-4-18)28-30-22-11-15-24(16-12-22)38(34,35)36/h1-16H,(H,31,32,33)(H,34,35,36)/p-2/b26-25+,29-27+,30-28+.
What are the key properties of 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate?
4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate has a molecular weight of 548.56 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate is sourced from PubChem (CID 4263355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).