chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate)

C46H26CrN10O22S4-5 — CID 165363841

About chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate)

chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate) (PubChem CID 165363841) has the molecular formula C46H26CrN10O22S4-5 and a molecular weight of 1251.03 g/mol. Its IUPAC name is chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate).

Molecular Properties

• Compound Name: chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate)
• PubChem CID: 165363841
• Molecular Formula: C46H26CrN10O22S4-5
• Molecular Weight: 1251.03 g/mol
• Exact Mass: 1249.95
• IUPAC Name: chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate)
• SMILES: Cc1ccc(O)c(/N=N/c2ccc3cc(S(=O)(=O)[O-])c(/N=N\c4cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c4[O-])c([O-])c3c2)c1.Cc1ccc(O)c(/N=N\c2ccc3cc(S(=O)(=O)[O-])c(/N=N/c4cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c4[O-])c([O-])c3c2)c1.[Cr+3]
• InChI: InChI=1S/2C23H17N5O11S2.Cr/c2*1-11-2-5-19(29)16(6-11)25-24-13-4-3-12-7-20(41(37,38)39)21(22(30)15(12)8-13)27-26-17-9-14(40(34,35)36)10-18(23(17)31)28(32)33;/h2*2-10,29-31H,1H3,(H,34,35,36)(H,37,38,39);/q;;+3/p-8/b25-24+,27-26-;25-24-,27-26+
• InChIKey: KIVGDOZJBQOIGK-YFPIKSKBSA-F
• XLogP: 7.09
• TPSA: 546.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1251.03
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

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+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate)?

The IUPAC name of chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate) (CID 165363841) is chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate).

What is the SMILES notation for chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate)?

The canonical SMILES for chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate) is Cc1ccc(O)c(/N=N/c2ccc3cc(S(=O)(=O)[O-])c(/N=N\c4cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c4[O-])c([O-])c3c2)c1.Cc1ccc(O)c(/N=N\c2ccc3cc(S(=O)(=O)[O-])c(/N=N/c4cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c4[O-])c([O-])c3c2)c1.[Cr+3].

What is the InChIKey of chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate)?

The InChIKey is KIVGDOZJBQOIGK-YFPIKSKBSA-F. The full InChI is InChI=1S/2C23H17N5O11S2.Cr/c2*1-11-2-5-19(29)16(6-11)25-24-13-4-3-12-7-20(41(37,38)39)21(22(30)15(12)8-13)27-26-17-9-14(40(34,35)36)10-18(23(17)31)28(32)33;/h2*2-10,29-31H,1H3,(H,34,35,36)(H,37,38,39);/q;;+3/p-8/b25-24+,27-26-;25-24-,27-26+;.

What are the key properties of chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate)?

chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate) has a molecular weight of 1251.03 g/mol, XLogP of 7.09, 14 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for chromium(3+);bis(6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate) is sourced from PubChem (CID 165363841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).