cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate

C84H70Cl10Co6F9N24O11S3- — CID 139152435

IUPACcobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate
SMILESCCOCC.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co].c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1
InChIInChI=1S/4C18H12N6.C4H10O.5CH2Cl2.3CHF3O3S.6Co.H2O/c4*1-3-11-19-14(5-1)21-16-9-7-13-8-10-17(24-18(13)23-16)22-15-6-2-4-12-20-15;1-3-5-4-2;5*2-1-3;3*2-1(3,4)8(5,6)7;;;;;;;/h4*1-12H;3-4H2,1-2H3;5*1H2;3*(H,5,6,7);;;;;;;1H2/q4*-2;;;;;;;;;;;5*+2;/p-3
InChIKeyRQUFDUZGTQJELT-UHFFFAOYSA-K
MW2566.95 g/mol
LogP27.84
Rot. Bonds18

About cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate

cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate (PubChem CID 139152435) has the molecular formula C84H70Cl10Co6F9N24O11S3- and a molecular weight of 2566.95 g/mol. Its IUPAC name is cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate.

Molecular Properties

Compound Namecobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate
PubChem CID139152435
Molecular FormulaC84H70Cl10Co6F9N24O11S3-
Molecular Weight2566.95 g/mol
Exact Mass2560.76
IUPAC Namecobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate
SMILESCCOCC.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co].c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1
InChIInChI=1S/4C18H12N6.C4H10O.5CH2Cl2.3CHF3O3S.6Co.H2O/c4*1-3-11-19-14(5-1)21-16-9-7-13-8-10-17(24-18(13)23-16)22-15-6-2-4-12-20-15;1-3-5-4-2;5*2-1-3;3*2-1(3,4)8(5,6)7;;;;;;;/h4*1-12H;3-4H2,1-2H3;5*1H2;3*(H,5,6,7);;;;;;;1H2/q4*-2;;;;;;;;;;;5*+2;/p-3
InChIKeyRQUFDUZGTQJELT-UHFFFAOYSA-K
XLogP27.84
TPSA531.37 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002566.95
LogP ≤ 527.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate with MolForge

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Related Compounds

Dizinc;bis(1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine);tetrakis(trifluoromethanesulfonate)
CID 139137629
(Co6(bpyany)4(OTf)2)(OTf)2
CID 139152434
Chloroform;tetrakis(1,8-naphthyridin-2-yl-(5-phenyl-2-pyridinyl)azanide);tetrakis(nickel(2+));bis(trifluoromethanesulfonate);diisothiocyanate;hydrate
CID 139169447
Tetrazinc;ethoxyethane;oxygen(2-);pyrrolo[2,3-b]pyridin-7a-ide;pentakis(pyrrolo[2,3-b]pyridin-1-ide)
CID 139045435
(Co6(bpyany)(NCS)2)(PF6)
CID 139152432
(Co6(bpyany)4(NCS)2)(PF6)2
CID 139152433
Octakis(dichloromethane);tetrakis((4-methylphenyl)sulfonyl-[7-[(5-phenyl-2-pyridinyl)azanidyl]-1,8-naphthyridin-2-yl]azanide);pentakis(nickel(2+));dihexafluorophosphate
CID 139174956
tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate
CID 139174962
Octakis(1,2-dichloroethane);hexane;octakis(methylsulfonyl-[7-[(5-phenyl-2-pyridinyl)azanidyl]-1,8-naphthyridin-2-yl]azanide);nickel;octakis(nickel(2+));dihexafluorophosphate
CID 168349022
Decakis(cobalt(2+));bis(dichloromethane);ethoxyethane;octakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);tetraisothiocyanate;dihydrate
CID 139154583
Hexakis(dichloromethane);tetrakis(methylsulfonyl-[7-[(5-phenyl-2-pyridinyl)azanidyl]-1,8-naphthyridin-2-yl]azanide);pentakis(nickel(2+));dihexafluorophosphate
CID 139174958
Carbon monoxide;tetrakis((4-methylphenyl)sulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);pentakis(nickel(2+));dihexafluorophosphate;dihydrate
CID 139174960

Frequently Asked Questions

What is the IUPAC name of cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate?
The IUPAC name of cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate (CID 139152435) is cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate.
What is the SMILES notation for cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate?
The canonical SMILES for cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate is CCOCC.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co].c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.c1ccc([N-]c2ccc3ccc([N-]c4ccccn4)nc3n2)nc1.
What is the InChIKey of cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate?
The InChIKey is RQUFDUZGTQJELT-UHFFFAOYSA-K. The full InChI is InChI=1S/4C18H12N6.C4H10O.5CH2Cl2.3CHF3O3S.6Co.H2O/c4*1-3-11-19-14(5-1)21-16-9-7-13-8-10-17(24-18(13)23-16)22-15-6-2-4-12-20-15;1-3-5-4-2;5*2-1-3;3*2-1(3,4)8(5,6)7;;;;;;;/h4*1-12H;3-4H2,1-2H3;5*1H2;3*(H,5,6,7);;;;;;;1H2/q4*-2;;;;;;;;;;;5*+2;/p-3.
What are the key properties of cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate?
cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate has a molecular weight of 2566.95 g/mol, XLogP of 27.84, 18 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;pentakis(cobalt(2+));pentakis(dichloromethane);ethoxyethane;tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tris(trifluoromethanesulfonate);hydrate is sourced from PubChem (CID 139152435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).