sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate

C32H18CrN6NaO8 — CID 86290247

IUPACsodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SMILESO=[N+]([O-])c1ccc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c1.O=[N+]([O-])c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Cr+3].[Na+]
InChIInChI=1S/2C16H11N3O4.Cr.Na/c20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;+3;+1/p-4/b2*18-17+;;
InChIKeyPLCPJIGMKYOWKV-PMEKQEAXSA-J
MW689.52 g/mol
LogP3.62
Rot. Bonds6

About sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate

sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate (PubChem CID 86290247) has the molecular formula C32H18CrN6NaO8 and a molecular weight of 689.52 g/mol. Its IUPAC name is sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate.

Molecular Properties

Compound Namesodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
PubChem CID86290247
Molecular FormulaC32H18CrN6NaO8
Molecular Weight689.52 g/mol
Exact Mass689.05
IUPAC Namesodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SMILESO=[N+]([O-])c1ccc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c1.O=[N+]([O-])c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Cr+3].[Na+]
InChIInChI=1S/2C16H11N3O4.Cr.Na/c20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;+3;+1/p-4/b2*18-17+;;
InChIKeyPLCPJIGMKYOWKV-PMEKQEAXSA-J
XLogP3.62
TPSA227.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cobalt(3+);2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 170844531
sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 165362647
2,4-bis(azanidyl)-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate;chromium(3+);hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 171041564
chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate
CID 170852043
cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate
CID 170842552
chromium(3+);7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydrate
CID 170853738
chromium(3+);7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;trihydrate
CID 170854303
(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene
CID 14062040
disodium;chromium(3+);2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenolate;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
CID 170840002
chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide
CID 165360776
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
chromium(3+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfophenolate;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
CID 170854051

Frequently Asked Questions

What is the IUPAC name of sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?
The IUPAC name of sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate (CID 86290247) is sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate.
What is the SMILES notation for sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?
The canonical SMILES for sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate is O=[N+]([O-])c1ccc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c1.O=[N+]([O-])c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Cr+3].[Na+].
What is the InChIKey of sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?
The InChIKey is PLCPJIGMKYOWKV-PMEKQEAXSA-J. The full InChI is InChI=1S/2C16H11N3O4.Cr.Na/c20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;+3;+1/p-4/b2*18-17+;;.
What are the key properties of sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?
sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate has a molecular weight of 689.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate is sourced from PubChem (CID 86290247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).