chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron

C24H23CrN4O12S2+3 — CID 163360142

IUPACchromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron
SMILESO=S(=O)(O)c1ccc(O)c(/N=N/c2ccc(O)cc2O)c1.O=S(=O)(O)c1ccc(O)c(/N=N/c2ccc(O)cc2O)c1.[Cr].[H+].[H+].[H+]
InChIInChI=1S/2C12H10N2O6S.Cr/c2*15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16;/h2*1-6,15-17H,(H,18,19,20);/p+3/b2*14-13+;
InChIKeyXHIGRQFXXLFLFV-FZHLCEHXSA-Q
MW675.59 g/mol
LogP5.27
Rot. Bonds6

About chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron

chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron (PubChem CID 163360142) has the molecular formula C24H23CrN4O12S2+3 and a molecular weight of 675.59 g/mol. Its IUPAC name is chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron.

Molecular Properties

Compound Namechromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron
PubChem CID163360142
Molecular FormulaC24H23CrN4O12S2+3
Molecular Weight675.59 g/mol
Exact Mass675.01
IUPAC Namechromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron
SMILESO=S(=O)(O)c1ccc(O)c(/N=N/c2ccc(O)cc2O)c1.O=S(=O)(O)c1ccc(O)c(/N=N/c2ccc(O)cc2O)c1.[Cr].[H+].[H+].[H+]
InChIInChI=1S/2C12H10N2O6S.Cr/c2*15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16;/h2*1-6,15-17H,(H,18,19,20);/p+3/b2*14-13+;
InChIKeyXHIGRQFXXLFLFV-FZHLCEHXSA-Q
XLogP5.27
TPSA279.56 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500675.59
LogP ≤ 55.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

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

4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
CID 170843215
CID 170843215
4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
CID 136679511
4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonate
CID 3343252
4-hydroxy-3-[[2-(trifluoromethyl)phenyl]diazenyl]benzenesulfonic acid
CID 136865561
CID 170845739
CID 170845739
4-hydroxy-3-isocyanatobenzenesulfonic acid
CID 169355860
3-[(2-amino-5-sulfophenyl)diazenyl]-4-hydroxybenzoic acid
CID 137181497
4-[(5-fluoro-2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 136728610
sodium 5-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-[(E)-2-[4-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135499455
4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 163411937
5-[(2,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(2,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135422240

Frequently Asked Questions

What is the IUPAC name of chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron?
The IUPAC name of chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron (CID 163360142) is chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron.
What is the SMILES notation for chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron?
The canonical SMILES for chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron is O=S(=O)(O)c1ccc(O)c(/N=N/c2ccc(O)cc2O)c1.O=S(=O)(O)c1ccc(O)c(/N=N/c2ccc(O)cc2O)c1.[Cr].[H+].[H+].[H+].
What is the InChIKey of chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron?
The InChIKey is XHIGRQFXXLFLFV-FZHLCEHXSA-Q. The full InChI is InChI=1S/2C12H10N2O6S.Cr/c2*15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16;/h2*1-6,15-17H,(H,18,19,20);/p+3/b2*14-13+;.
What are the key properties of chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron?
chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron has a molecular weight of 675.59 g/mol, XLogP of 5.27, 6 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron is sourced from PubChem (CID 163360142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).