hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate)

C82H60Cl12Co6F12N24O12S4 — CID 139152434

IUPAChexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate)
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.O=S(=O)([O-])C(F)(F)F.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+2].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/4C18H12N6.6CH2Cl2.4CHF3O3S.6Co/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;6*2-1-3;4*2-1(3,4)8(5,6)7;;;;;;/h4*1-12H;6*1H2;4*(H,5,6,7);;;;;;/q4*-2;;;;;;;;;;;6*+2/p-4
InChIKeyXTLLWYOSXRMCRY-UHFFFAOYSA-J
MW2708.82 g/mol
LogP29.09
Rot. Bonds16

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

hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate) (PubChem CID 139152434) has the molecular formula C82H60Cl12Co6F12N24O12S4 and a molecular weight of 2708.82 g/mol. Its IUPAC name is hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate).

Molecular Properties

Compound Namehexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate)
PubChem CID139152434
Molecular FormulaC82H60Cl12Co6F12N24O12S4
Molecular Weight2708.82 g/mol
Exact Mass2701.58
IUPAC Namehexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate)
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.O=S(=O)([O-])C(F)(F)F.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+2].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/4C18H12N6.6CH2Cl2.4CHF3O3S.6Co/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;6*2-1-3;4*2-1(3,4)8(5,6)7;;;;;;/h4*1-12H;6*1H2;4*(H,5,6,7);;;;;;/q4*-2;;;;;;;;;;;6*+2/p-4
InChIKeyXTLLWYOSXRMCRY-UHFFFAOYSA-J
XLogP29.09
TPSA547.84 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002708.82
LogP ≤ 529.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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 hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate) 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
Tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);tris(trifluoromethanesulfonate)
CID 139154587
Chloroform;tetrakis(1,8-naphthyridin-2-yl-(5-phenyl-2-pyridinyl)azanide);tetrakis(nickel(2+));bis(trifluoromethanesulfonate);diisothiocyanate;hydrate
CID 139169447
(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
Pentakis(1,2-dichloroethane);tetrakis((4-methylphenyl)sulfonyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);tris(nickel(2+));nickel(3+);tetrafluoroborate
CID 168344978
Dioxidanium;tris(dichloromethane);tetrakis(dipyridin-2-ylazanide);tetrakis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);hexakis(nickel(2+))
CID 168347380
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
(Co6(bpyany)4(OTf)2)(OTf)
CID 139152435
Gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride
CID 139110637

Frequently Asked Questions

What is the IUPAC name of hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate)?
The IUPAC name of hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate) (CID 139152434) is hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate).
What is the SMILES notation for hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate)?
The canonical SMILES for hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate) is ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.O=S(=O)([O-])C(F)(F)F.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+2].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 hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate)?
The InChIKey is XTLLWYOSXRMCRY-UHFFFAOYSA-J. The full InChI is InChI=1S/4C18H12N6.6CH2Cl2.4CHF3O3S.6Co/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;6*2-1-3;4*2-1(3,4)8(5,6)7;;;;;;/h4*1-12H;6*1H2;4*(H,5,6,7);;;;;;/q4*-2;;;;;;;;;;;6*+2/p-4.
What are the key properties of hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate)?
hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate) has a molecular weight of 2708.82 g/mol, XLogP of 29.09, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);tetrakis(trifluoromethanesulfonate) is sourced from PubChem (CID 139152434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).