sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+)

C22H12CrN6NaO10S2 — CID 165360716

About sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+)

sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+) (PubChem CID 165360716) has the molecular formula C22H12CrN6NaO10S2 and a molecular weight of 659.49 g/mol. Its IUPAC name is sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+).

Molecular Properties

• Compound Name: sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+)
• PubChem CID: 165360716
• Molecular Formula: C22H12CrN6NaO10S2
• Molecular Weight: 659.49 g/mol
• Exact Mass: 658.94
• IUPAC Name: sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+)
• SMILES: [Cr+3].[NH-]c1ccc2c(O)c(/N=N/c3ccc(S(=O)(=O)[O-])cc3)c(S(=O)(=O)[O-])cc2c1/N=N/c1ccc([N+](=O)[O-])cc1[O-].[Na+]
• InChI: InChI=1S/C22H15N6O10S2.Cr.Na/c23-16-7-6-14-15(20(16)26-25-17-8-3-12(28(31)32)9-18(17)29)10-19(40(36,37)38)21(22(14)30)27-24-11-1-4-13(5-2-11)39(33,34)35;;/h1-10H,(H5-,23,24,25,26,27,29,30,33,34,35,36,37,38);;/q-1;+3;+1/p-3
• InChIKey: DYGFBODITZNIEF-UHFFFAOYSA-K
• XLogP: 1.85
• TPSA: 274.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.49
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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 sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+)?

The IUPAC name of sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+) (CID 165360716) is sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+).

What is the SMILES notation for sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+)?

The canonical SMILES for sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+) is [Cr+3].[NH-]c1ccc2c(O)c(/N=N/c3ccc(S(=O)(=O)[O-])cc3)c(S(=O)(=O)[O-])cc2c1/N=N/c1ccc([N+](=O)[O-])cc1[O-].[Na+].

What is the InChIKey of sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+)?

The InChIKey is DYGFBODITZNIEF-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H15N6O10S2.Cr.Na/c23-16-7-6-14-15(20(16)26-25-17-8-3-12(28(31)32)9-18(17)29)10-19(40(36,37)38)21(22(14)30)27-24-11-1-4-13(5-2-11)39(33,34)35;;/h1-10H,(H5-,23,24,25,26,27,29,30,33,34,35,36,37,38);;/q-1;+3;+1/p-3.

What are the key properties of sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+)?

sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+) has a molecular weight of 659.49 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;7-azanidyl-4-hydroxy-8-[(4-nitro-2-oxidophenyl)diazenyl]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate;chromium(3+) is sourced from PubChem (CID 165360716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).