About chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate
chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate (PubChem CID 170854018) has the molecular formula C32H22CrN8O11S+
and a molecular weight of 778.64 g/mol. Its IUPAC name is chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate.
Molecular Properties
| Compound Name | chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate |
|---|
| PubChem CID | 170854018 |
|---|
| Molecular Formula | C32H22CrN8O11S+ |
|---|
| Molecular Weight | 778.64 g/mol |
|---|
| Exact Mass | 778.05 |
|---|
| IUPAC Name | chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate |
|---|
| SMILES | Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c([O-])c1/N=N/c1ccc([N+](=O)[O-])cc1[O-].O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(O)c1.[Cr+3] |
|---|
| InChI | InChI=1S/C16H13N5O7S.C16H11N3O4.Cr/c1-9-15(18-17-13-7-4-11(21(24)25)8-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;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;/h2-8,22-23H,1H3,(H,26,27,28);1-9,20-21H;/q;;+3/p-2/b2*18-17+; |
|---|
| InChIKey | RPCMBWUZZQWUGT-IVYOCVIQSA-L |
|---|
| XLogP | 6.47 |
|---|
| TPSA | 294.49 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 16 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 53 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 778.64 |
| LogP ≤ 5 | 6.47 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 16 |
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'} |
|---|
Analyze chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate?
The IUPAC name of chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate (CID 170854018) is chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate.
What is the SMILES notation for chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate?
The canonical SMILES for chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate is Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c([O-])c1/N=N/c1ccc([N+](=O)[O-])cc1[O-].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;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate?
The InChIKey is RPCMBWUZZQWUGT-IVYOCVIQSA-L. The full InChI is InChI=1S/C16H13N5O7S.C16H11N3O4.Cr/c1-9-15(18-17-13-7-4-11(21(24)25)8-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;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;/h2-8,22-23H,1H3,(H,26,27,28);1-9,20-21H;/q;;+3/p-2/b2*18-17+;.
What are the key properties of chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate?
chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate has a molecular weight of 778.64 g/mol, XLogP of 6.47, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate is sourced from PubChem (CID 170854018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).