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

C44H28CoN10NaO10- — CID 170841725

IUPACsodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt
SMILESO=[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+]
InChIInChI=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+;;
InChIKeyZZHDVSOJULURIN-UDUKZKFFSA-L
MW938.69 g/mol
LogP8.78
Rot. Bonds12

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 Namesodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt
PubChem CID170841725
Molecular FormulaC44H28CoN10NaO10-
Molecular Weight938.69 g/mol
Exact Mass938.12
IUPAC Namesodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt
SMILESO=[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+]
InChIInChI=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+;;
InChIKeyZZHDVSOJULURIN-UDUKZKFFSA-L
XLogP8.78
TPSA292.18 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500938.69
LogP ≤ 58.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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'}

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