azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium

C32H28CrN9O8+ — CID 170847451

About azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium

azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium (PubChem CID 170847451) has the molecular formula C32H28CrN9O8+ and a molecular weight of 718.63 g/mol. Its IUPAC name is azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium.

Molecular Properties

• Compound Name: azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium
• PubChem CID: 170847451
• Molecular Formula: C32H28CrN9O8+
• Molecular Weight: 718.63 g/mol
• Exact Mass: 718.15
• IUPAC Name: azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium
• SMILES: Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1[OH2+].N.O=[N+]([O-])c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Cr]
• InChI: InChI=1S/C16H13N5O4.C16H11N3O4.Cr.H3N/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;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;;/h2-9,19,22H,1H3;1-9,20-21H;;1H3/p+1/b2*18-17+
• InChIKey: KSYIKHATBDQUJT-PMEKQEAXSA-O
• XLogP: 7.97
• TPSA: 271.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	718.63
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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'}

Frequently Asked Questions

What is the IUPAC name of azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium?

The IUPAC name of azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium (CID 170847451) is azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium.

What is the SMILES notation for azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium?

The canonical SMILES for azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium is Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1[OH2+].N.O=[N+]([O-])c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Cr].

What is the InChIKey of azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium?

The InChIKey is KSYIKHATBDQUJT-PMEKQEAXSA-O. The full InChI is InChI=1S/C16H13N5O4.C16H11N3O4.Cr.H3N/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;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;;/h2-9,19,22H,1H3;1-9,20-21H;;1H3/p+1/b2*18-17+;;.

What are the key properties of azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium?

azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium has a molecular weight of 718.63 g/mol, XLogP of 7.97, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium is sourced from PubChem (CID 170847451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).