cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate

C80H62Cl12Co6F6N26OPS2- — CID 139152432

IUPACcobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.O.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co].[N-]=C=S.[N-]=C=S.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/4C18H12N6.6CH2Cl2.2CNS.6Co.F6P.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;8*2-1-3;;;;;;;1-7(2,3,4,5)6;/h4*1-12H;6*1H2;;;;;;;;;;1H2/q4*-2;;;;;;;2*-1;;5*+2;-1;
InChIKeyNACUPQRQOGVQMU-UHFFFAOYSA-N
MW2391.69 g/mol
LogP32.76
Rot. Bonds16

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

cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate (PubChem CID 139152432) has the molecular formula C80H62Cl12Co6F6N26OPS2- and a molecular weight of 2391.69 g/mol. Its IUPAC name is cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate.

Molecular Properties

Compound Namecobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate
PubChem CID139152432
Molecular FormulaC80H62Cl12Co6F6N26OPS2-
Molecular Weight2391.69 g/mol
Exact Mass2384.69
IUPAC Namecobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.O.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co].[N-]=C=S.[N-]=C=S.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/4C18H12N6.6CH2Cl2.2CNS.6Co.F6P.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;8*2-1-3;;;;;;;1-7(2,3,4,5)6;/h4*1-12H;6*1H2;;;;;;;;;;1H2/q4*-2;;;;;;;2*-1;;5*+2;-1;
InChIKeyNACUPQRQOGVQMU-UHFFFAOYSA-N
XLogP32.76
TPSA395.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002391.69
LogP ≤ 532.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate 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 cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate?
The IUPAC name of cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate (CID 139152432) is cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate.
What is the SMILES notation for cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate?
The canonical SMILES for cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate is ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.O.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co].[N-]=C=S.[N-]=C=S.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+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate?
The InChIKey is NACUPQRQOGVQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H12N6.6CH2Cl2.2CNS.6Co.F6P.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;8*2-1-3;;;;;;;1-7(2,3,4,5)6;/h4*1-12H;6*1H2;;;;;;;;;;1H2/q4*-2;;;;;;;2*-1;;5*+2;-1;.
What are the key properties of cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate?
cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate has a molecular weight of 2391.69 g/mol, XLogP of 32.76, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;pentakis(cobalt(2+));hexakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);hexafluorophosphate;diisothiocyanate;hydrate is sourced from PubChem (CID 139152432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).