hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide

C28H32K6N4O16-10 — CID 5256685

IUPAChexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide
SMILESCc1ccc([O-])c(/N=N\c2ccccc2C([O-])[O-])c1.Cc1ccc([O-])c(/N=N\c2ccccc2C([O-])[O-])c1.[K+].[K+].[K+].[K+].[K+].[K+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/2C14H12N2O3.6K.10H2O/c2*1-9-6-7-13(17)12(8-9)16-15-11-5-3-2-4-10(11)14(18)19;;;;;;;;;;;;;;;;/h2*2-8,14,17H,1H3;;;;;;;10*1H2/q2*-2;6*+1;;;;;;;;;;/p-12/b2*16-15-;;;;;;;;;;;;;;;;
InChIKeyCNISFAVMKWJOLK-DRALFVBGSA-B
MW915.16 g/mol
LogP-17.34
Rot. Bonds6

About hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide

hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide (PubChem CID 5256685) has the molecular formula C28H32K6N4O16-10 and a molecular weight of 915.16 g/mol. Its IUPAC name is hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide.

Molecular Properties

Compound Namehexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide
PubChem CID5256685
Molecular FormulaC28H32K6N4O16-10
Molecular Weight915.16 g/mol
Exact Mass913.97
IUPAC Namehexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide
SMILESCc1ccc([O-])c(/N=N\c2ccccc2C([O-])[O-])c1.Cc1ccc([O-])c(/N=N\c2ccccc2C([O-])[O-])c1.[K+].[K+].[K+].[K+].[K+].[K+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/2C14H12N2O3.6K.10H2O/c2*1-9-6-7-13(17)12(8-9)16-15-11-5-3-2-4-10(11)14(18)19;;;;;;;;;;;;;;;;/h2*2-8,14,17H,1H3;;;;;;;10*1H2/q2*-2;6*+1;;;;;;;;;;/p-12/b2*16-15-;;;;;;;;;;;;;;;;
InChIKeyCNISFAVMKWJOLK-DRALFVBGSA-B
XLogP-17.34
TPSA487.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.16
LogP ≤ 5-17.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol
CID 5249734
methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
CID 139177480
2-[(2-aminophenyl)diazenyl]-4-methylaniline
CID 118232962
potassium 2,4-dimethylphenolate
CID 23677781
carbon monoxide;chlororuthenium(1+);4-methyl-2-(1,3-thiazol-2-yldiazenyl)phenolate;triphenylphosphane
CID 57387952
potassium 5-methyl-2-propan-2-ylphenolate
CID 23693969
benzene;2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 160570750
bis[2-[fluoro(diphenyl)silyl]-4-methylphenyl]diazene
CID 25136863
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)
CID 42634362
bis(4-methyl-2-trifluorosilylphenyl)diazene
CID 102150589

Frequently Asked Questions

What is the IUPAC name of hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide?
The IUPAC name of hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide (CID 5256685) is hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide.
What is the SMILES notation for hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide?
The canonical SMILES for hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide is Cc1ccc([O-])c(/N=N\c2ccccc2C([O-])[O-])c1.Cc1ccc([O-])c(/N=N\c2ccccc2C([O-])[O-])c1.[K+].[K+].[K+].[K+].[K+].[K+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide?
The InChIKey is CNISFAVMKWJOLK-DRALFVBGSA-B. The full InChI is InChI=1S/2C14H12N2O3.6K.10H2O/c2*1-9-6-7-13(17)12(8-9)16-15-11-5-3-2-4-10(11)14(18)19;;;;;;;;;;;;;;;;/h2*2-8,14,17H,1H3;;;;;;;10*1H2/q2*-2;6*+1;;;;;;;;;;/p-12/b2*16-15-;;;;;;;;;;;;;;;;.
What are the key properties of hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide?
hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide has a molecular weight of 915.16 g/mol, XLogP of -17.34, 6 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide is sourced from PubChem (CID 5256685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).