dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate

C26H18Li2N4Na2O8S2+2 — CID 135570580

IUPACdilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1cc(/N=N/c2ccc(O)cc2)ccc1/C=C/c1ccc(/N=N/c2ccc(O)cc2)cc1S(=O)(=O)[O-].[Li+].[Li+].[Na+].[Na+]
InChIInChI=1S/C26H20N4O8S2.2Li.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;;;/q;4*+1/p-2/b2-1+,29-27+,30-28+;;;;
InChIKeyLSNJRGPCWTWQNH-YIJVGUEASA-L
MW638.45 g/mol
LogP-6.08
Rot. Bonds8

About dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate

dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate (PubChem CID 135570580) has the molecular formula C26H18Li2N4Na2O8S2+2 and a molecular weight of 638.45 g/mol. Its IUPAC name is dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate.

Molecular Properties

Compound Namedilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
PubChem CID135570580
Molecular FormulaC26H18Li2N4Na2O8S2+2
Molecular Weight638.45 g/mol
Exact Mass638.07
IUPAC Namedilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1cc(/N=N/c2ccc(O)cc2)ccc1/C=C/c1ccc(/N=N/c2ccc(O)cc2)cc1S(=O)(=O)[O-].[Li+].[Li+].[Na+].[Na+]
InChIInChI=1S/C26H20N4O8S2.2Li.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;;;/q;4*+1/p-2/b2-1+,29-27+,30-28+;;;;
InChIKeyLSNJRGPCWTWQNH-YIJVGUEASA-L
XLogP-6.08
TPSA204.30 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.45
LogP ≤ 5-6.08
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': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The IUPAC name of dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate (CID 135570580) is dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
What is the SMILES notation for dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The canonical SMILES for dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate is O=S(=O)([O-])c1cc(/N=N/c2ccc(O)cc2)ccc1/C=C/c1ccc(/N=N/c2ccc(O)cc2)cc1S(=O)(=O)[O-].[Li+].[Li+].[Na+].[Na+].
What is the InChIKey of dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The InChIKey is LSNJRGPCWTWQNH-YIJVGUEASA-L. The full InChI is InChI=1S/C26H20N4O8S2.2Li.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;;;/q;4*+1/p-2/b2-1+,29-27+,30-28+;;;;.
What are the key properties of dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate has a molecular weight of 638.45 g/mol, XLogP of -6.08, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate is sourced from PubChem (CID 135570580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).