chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol

C32H25CrN8O11S+ — CID 91668136

IUPACchromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESCc1nn(-c2ccc(S(=O)(=O)O)cc2)c(=O)[c-]1/N=N\c1ccc([N+](=O)[O-])cc1O.O=[N+]([O-])c1ccc(/N=N\c2c(O)ccc3ccccc23)c(O)c1.[Cr].[H+].[H+]
InChIInChI=1S/C16H12N5O7S.C16H11N3O4.Cr/c1-9-15(18-17-13-7-4-11(21(24)25)8-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;/h2-8,22H,1H3,(H,26,27,28);1-9,20-21H;/q-1;;/p+2/b2*18-17-;
InChIKeyQRSWFSMAFARUDL-PTZSQULPSA-P
MW781.66 g/mol
LogP7.33
Rot. Bonds8

About chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol

chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 91668136) has the molecular formula C32H25CrN8O11S+ and a molecular weight of 781.66 g/mol. Its IUPAC name is chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Namechromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID91668136
Molecular FormulaC32H25CrN8O11S+
Molecular Weight781.66 g/mol
Exact Mass781.08
IUPAC Namechromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESCc1nn(-c2ccc(S(=O)(=O)O)cc2)c(=O)[c-]1/N=N\c1ccc([N+](=O)[O-])cc1O.O=[N+]([O-])c1ccc(/N=N\c2c(O)ccc3ccccc23)c(O)c1.[Cr].[H+].[H+]
InChIInChI=1S/C16H12N5O7S.C16H11N3O4.Cr/c1-9-15(18-17-13-7-4-11(21(24)25)8-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;/h2-8,22H,1H3,(H,26,27,28);1-9,20-21H;/q-1;;/p+2/b2*18-17-;
InChIKeyQRSWFSMAFARUDL-PTZSQULPSA-P
XLogP7.33
TPSA285.67 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500781.66
LogP ≤ 57.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol with MolForge

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Related Compounds

chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate
CID 170854018
sodium;chromium;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;hydrate
CID 71301372
chromium(3+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfophenolate;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
CID 170854049
chromium(3+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfophenolate;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
CID 170854051
disodium;chromium;4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-2-phenylpyrazol-4-id-3-one
CID 91809018
sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)
CID 91809143
sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 170846797
chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide
CID 121232464
2-aminoethanol;chromium;hydron;2-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;hydrate
CID 119057938
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 156599392

Frequently Asked Questions

What is the IUPAC name of chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol (CID 91668136) is chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol is Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(=O)[c-]1/N=N\c1ccc([N+](=O)[O-])cc1O.O=[N+]([O-])c1ccc(/N=N\c2c(O)ccc3ccccc23)c(O)c1.[Cr].[H+].[H+].
What is the InChIKey of chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is QRSWFSMAFARUDL-PTZSQULPSA-P. The full InChI is InChI=1S/C16H12N5O7S.C16H11N3O4.Cr/c1-9-15(18-17-13-7-4-11(21(24)25)8-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;/h2-8,22H,1H3,(H,26,27,28);1-9,20-21H;/q-1;;/p+2/b2*18-17-;.
What are the key properties of chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 781.66 g/mol, XLogP of 7.33, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 91668136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).