cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide

C26H17ClCoN8O13 — CID 46196484

IUPACcobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.O=[N+]([O-])c1cccc(/C=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.[Cl-].[Co+2].[OH-]
InChIInChI=1S/2C13H8N4O6.ClH.Co.H2O/c2*18-15(19)10-3-1-2-9(6-10)8-14-12-5-4-11(16(20)21)7-13(12)17(22)23;;;/h2*1-8H;1H;;1H2/q;;;+2;/p-2/b2*14-8+;;;
InChIKeySURMAFGXQYOZFB-ZDRQEUJGSA-L
MW743.85 g/mol
LogP3.15
Rot. Bonds10

About cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide

cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide (PubChem CID 46196484) has the molecular formula C26H17ClCoN8O13 and a molecular weight of 743.85 g/mol. Its IUPAC name is cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide.

Molecular Properties

Compound Namecobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
PubChem CID46196484
Molecular FormulaC26H17ClCoN8O13
Molecular Weight743.85 g/mol
Exact Mass742.99
IUPAC Namecobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.O=[N+]([O-])c1cccc(/C=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.[Cl-].[Co+2].[OH-]
InChIInChI=1S/2C13H8N4O6.ClH.Co.H2O/c2*18-15(19)10-3-1-2-9(6-10)8-14-12-5-4-11(16(20)21)7-13(12)17(22)23;;;/h2*1-8H;1H;;1H2/q;;;+2;/p-2/b2*14-8+;;;
InChIKeySURMAFGXQYOZFB-ZDRQEUJGSA-L
XLogP3.15
TPSA313.56 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.85
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine
CID 5105784
N'-(2,4-dinitrophenyl)methanimidamide
CID 89273511
N-(2,4-difluorophenyl)-1-(3-nitrophenyl)methanimine
CID 122707231
1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
CID 692052
4-[(2,4-dinitrophenyl)iminomethyl]-N,N-diethylaniline
CID 102398892
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
CID 927284
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
4-[(3-nitrophenyl)methylideneamino]benzonitrile
CID 67289282
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol
CID 690293
1-(3-nitrophenyl)-N-[8-[(3-nitrophenyl)methylideneamino]octyl]methanimine
CID 139068600
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide?
The IUPAC name of cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide (CID 46196484) is cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide.
What is the SMILES notation for cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide?
The canonical SMILES for cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide is O=[N+]([O-])c1cccc(/C=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.O=[N+]([O-])c1cccc(/C=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.[Cl-].[Co+2].[OH-].
What is the InChIKey of cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide?
The InChIKey is SURMAFGXQYOZFB-ZDRQEUJGSA-L. The full InChI is InChI=1S/2C13H8N4O6.ClH.Co.H2O/c2*18-15(19)10-3-1-2-9(6-10)8-14-12-5-4-11(16(20)21)7-13(12)17(22)23;;;/h2*1-8H;1H;;1H2/q;;;+2;/p-2/b2*14-8+;;;.
What are the key properties of cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide?
cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide has a molecular weight of 743.85 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide is sourced from PubChem (CID 46196484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).