chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate

C32H19CrN6O11S — CID 170852043

About chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate

chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate (PubChem CID 170852043) has the molecular formula C32H19CrN6O11S and a molecular weight of 747.60 g/mol. Its IUPAC name is chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate.

Molecular Properties

• Compound Name: chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate
• PubChem CID: 170852043
• Molecular Formula: C32H19CrN6O11S
• Molecular Weight: 747.60 g/mol
• Exact Mass: 747.02
• IUPAC Name: chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate
• SMILES: O=[N+]([O-])c1cc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c(S(=O)(=O)[O-])c1.O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(O)c1.[Cr+3]
• InChI: InChI=1S/C16H11N3O7S.C16H11N3O4.Cr/c20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26;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;/h1-8,20-21H,(H,24,25,26);1-9,20-21H;/q;;+3/p-3/b2*18-17+
• InChIKey: SLWDDJVIDZKDQJ-IVYOCVIQSA-K
• XLogP: 6.79
• TPSA: 279.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	747.60
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate?

The IUPAC name of chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate (CID 170852043) is chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate.

What is the SMILES notation for chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate?

The canonical SMILES for chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate is O=[N+]([O-])c1cc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c(S(=O)(=O)[O-])c1.O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(O)c1.[Cr+3].

What is the InChIKey of chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate?

The InChIKey is SLWDDJVIDZKDQJ-IVYOCVIQSA-K. The full InChI is InChI=1S/C16H11N3O7S.C16H11N3O4.Cr/c20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26;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;/h1-8,20-21H,(H,24,25,26);1-9,20-21H;/q;;+3/p-3/b2*18-17+;.

What are the key properties of chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate?

chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate has a molecular weight of 747.60 g/mol, XLogP of 6.79, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate is sourced from PubChem (CID 170852043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).