sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt

C44H28CoN10NaO10- — CID 170841725

About sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt

sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt (PubChem CID 170841725) has the molecular formula C44H28CoN10NaO10- and a molecular weight of 938.69 g/mol. Its IUPAC name is sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt.

Molecular Properties

• Compound Name: sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt
• PubChem CID: 170841725
• Molecular Formula: C44H28CoN10NaO10-
• Molecular Weight: 938.69 g/mol
• Exact Mass: 938.12
• IUPAC Name: sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt
• SMILES: O=[N+]([O-])c1cc(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)c([O-])c([N+](=O)[O-])c1.[Co].[Na+]
• InChI: InChI=1S/2C22H15N5O5.Co.Na/c2*28-22-19(12-16(26(29)30)13-20(22)27(31)32)24-25-21-17-9-5-4-6-14(17)10-11-18(21)23-15-7-2-1-3-8-15;;/h2*1-13,23,28H;;/q;;;+1/p-2/b2*25-24+
• InChIKey: ZZHDVSOJULURIN-UDUKZKFFSA-L
• XLogP: 8.78
• TPSA: 292.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	938.69
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	2
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'}

Frequently Asked Questions

What is the IUPAC name of sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt?

The IUPAC name of sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt (CID 170841725) is sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt.

What is the SMILES notation for sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt?

The canonical SMILES for sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt is O=[N+]([O-])c1cc(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)c([O-])c([N+](=O)[O-])c1.[Co].[Na+].

What is the InChIKey of sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt?

The InChIKey is ZZHDVSOJULURIN-UDUKZKFFSA-L. The full InChI is InChI=1S/2C22H15N5O5.Co.Na/c2*28-22-19(12-16(26(29)30)13-20(22)27(31)32)24-25-21-17-9-5-4-6-14(17)10-11-18(21)23-15-7-2-1-3-8-15;;/h2*1-13,23,28H;;/q;;;+1/p-2/b2*25-24+;;.

What are the key properties of sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt?

sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt has a molecular weight of 938.69 g/mol, XLogP of 8.78, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt is sourced from PubChem (CID 170841725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).