bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron

C32H29CrN8O20S4+5 — CID 163360292

About bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron

bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron (PubChem CID 163360292) has the molecular formula C32H29CrN8O20S4+5 and a molecular weight of 1025.88 g/mol. Its IUPAC name is bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron.

Molecular Properties

• Compound Name: bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron
• PubChem CID: 163360292
• Molecular Formula: C32H29CrN8O20S4+5
• Molecular Weight: 1025.88 g/mol
• Exact Mass: 1024.98
• IUPAC Name: bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron
• SMILES: Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc([N+](=O)[O-])cc3O)c(O)c12.Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc([N+](=O)[O-])cc3O)c(O)c12.[Cr].[H+].[H+].[H+].[H+].[H+]
• InChI: InChI=1S/2C16H12N4O10S2.Cr/c2*17-10-6-9(31(25,26)27)3-7-4-13(32(28,29)30)15(16(22)14(7)10)19-18-11-2-1-8(20(23)24)5-12(11)21;/h2*1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30);/p+5/b2*19-18+
• InChIKey: SIHZQYIUBBSMLM-VFUQPONKSA-S
• XLogP: 5.86
• TPSA: 486.16 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1025.88
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron?

The IUPAC name of bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron (CID 163360292) is bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron.

What is the SMILES notation for bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron?

The canonical SMILES for bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron is Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc([N+](=O)[O-])cc3O)c(O)c12.Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc([N+](=O)[O-])cc3O)c(O)c12.[Cr].[H+].[H+].[H+].[H+].[H+].

What is the InChIKey of bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron?

The InChIKey is SIHZQYIUBBSMLM-VFUQPONKSA-S. The full InChI is InChI=1S/2C16H12N4O10S2.Cr/c2*17-10-6-9(31(25,26)27)3-7-4-13(32(28,29)30)15(16(22)14(7)10)19-18-11-2-1-8(20(23)24)5-12(11)21;/h2*1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30);/p+5/b2*19-18+;.

What are the key properties of bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron?

bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron has a molecular weight of 1025.88 g/mol, XLogP of 5.86, 10 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron is sourced from PubChem (CID 163360292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).