dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate

C39H24CrK2N7O9S2 — CID 165363907

IUPACdipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate
SMILESO=S(=O)([O-])c1cccc(/N=N/c2ccc([O-])c3ncccc23)c1.O=S(=O)([O-])c1cccc(/N=N/c2ccc([O-])c3ncccc23)c1.[Cr+3].[K+].[K+].[O-]c1cccc2cccnc12
InChIInChI=1S/2C15H11N3O4S.C9H7NO.Cr.2K/c2*19-14-7-6-13(12-5-2-8-16-15(12)14)18-17-10-3-1-4-11(9-10)23(20,21)22;11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h2*1-9,19H,(H,20,21,22);1-6,11H;;;/q;;;+3;2*+1/p-5/b2*18-17+;;;;
InChIKeyRIGYZIQAUWKVQI-DYFMGLLQSA-I
MW928.99 g/mol
LogP0.57
Rot. Bonds6

About dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate

dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate (PubChem CID 165363907) has the molecular formula C39H24CrK2N7O9S2 and a molecular weight of 928.99 g/mol. Its IUPAC name is dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate.

Molecular Properties

Compound Namedipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate
PubChem CID165363907
Molecular FormulaC39H24CrK2N7O9S2
Molecular Weight928.99 g/mol
Exact Mass927.98
IUPAC Namedipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate
SMILESO=S(=O)([O-])c1cccc(/N=N/c2ccc([O-])c3ncccc23)c1.O=S(=O)([O-])c1cccc(/N=N/c2ccc([O-])c3ncccc23)c1.[Cr+3].[K+].[K+].[O-]c1cccc2cccnc12
InChIInChI=1S/2C15H11N3O4S.C9H7NO.Cr.2K/c2*19-14-7-6-13(12-5-2-8-16-15(12)14)18-17-10-3-1-4-11(9-10)23(20,21)22;11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h2*1-9,19H,(H,20,21,22);1-6,11H;;;/q;;;+3;2*+1/p-5/b2*18-17+;;;;
InChIKeyRIGYZIQAUWKVQI-DYFMGLLQSA-I
XLogP0.57
TPSA271.69 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.99
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

tetrapotassium;bis(quinolin-8-olate);sulfate
CID 170905215
CID 170841185
CID 170841185
potassium;quinolin-8-olate;sulfuric acid
CID 170843806
bis(3-[(4-diazonionaphthalen-1-yl)diazenyl]benzenesulfonate);sulfuric acid
CID 170845267
zinc bis(quinolin-8-olate)
CID 162394451
palladium(2+);bis(quinolin-8-olate)
CID 15139981
iron(2+);bis(quinolin-8-olate)
CID 14497034
tris(quinolin-8-olate);zirconium-89(3+)
CID 155884448
carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene
CID 123443435
3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
CID 71344750
sodium 5-amino-6-phenyldiazenylquinoline-8-sulfonate
CID 140612138
sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate
CID 23721425

Frequently Asked Questions

What is the IUPAC name of dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate?
The IUPAC name of dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate (CID 165363907) is dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate.
What is the SMILES notation for dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate?
The canonical SMILES for dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate is O=S(=O)([O-])c1cccc(/N=N/c2ccc([O-])c3ncccc23)c1.O=S(=O)([O-])c1cccc(/N=N/c2ccc([O-])c3ncccc23)c1.[Cr+3].[K+].[K+].[O-]c1cccc2cccnc12.
What is the InChIKey of dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate?
The InChIKey is RIGYZIQAUWKVQI-DYFMGLLQSA-I. The full InChI is InChI=1S/2C15H11N3O4S.C9H7NO.Cr.2K/c2*19-14-7-6-13(12-5-2-8-16-15(12)14)18-17-10-3-1-4-11(9-10)23(20,21)22;11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h2*1-9,19H,(H,20,21,22);1-6,11H;;;/q;;;+3;2*+1/p-5/b2*18-17+;;;;.
What are the key properties of dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate?
dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate has a molecular weight of 928.99 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;chromium(3+);bis(3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate);quinolin-8-olate is sourced from PubChem (CID 165363907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).