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

C78H56Cl8Co6F12N26P2S2 — CID 139152433

IUPAChexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate
SMILESClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[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/4C18H12N6.4CH2Cl2.2CNS.6Co.2F6P/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;;;;;;;2*1-7(2,3,4,5)6/h4*1-12H;4*1H2;;;;;;;;;;/q4*-2;;;;;2*-1;6*+2;2*-1
InChIKeyXHWYWXNFTKBJOM-UHFFFAOYSA-N
MW2348.77 g/mol
LogP34.13
Rot. Bonds16

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

hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate (PubChem CID 139152433) has the molecular formula C78H56Cl8Co6F12N26P2S2 and a molecular weight of 2348.77 g/mol. Its IUPAC name is hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate.

Molecular Properties

Compound Namehexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate
PubChem CID139152433
Molecular FormulaC78H56Cl8Co6F12N26P2S2
Molecular Weight2348.77 g/mol
Exact Mass2343.74
IUPAC Namehexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate
SMILESClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[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/4C18H12N6.4CH2Cl2.2CNS.6Co.2F6P/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;;;;;;;2*1-7(2,3,4,5)6/h4*1-12H;4*1H2;;;;;;;;;;/q4*-2;;;;;2*-1;6*+2;2*-1
InChIKeyXHWYWXNFTKBJOM-UHFFFAOYSA-N
XLogP34.13
TPSA363.64 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.77
LogP ≤ 534.13
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'}

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Frequently Asked Questions

What is the IUPAC name of hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate?
The IUPAC name of hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate (CID 139152433) is hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate.
What is the SMILES notation for hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate?
The canonical SMILES for hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate is ClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[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 hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate?
The InChIKey is XHWYWXNFTKBJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H12N6.4CH2Cl2.2CNS.6Co.2F6P/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;;;;;;;2*1-7(2,3,4,5)6/h4*1-12H;4*1H2;;;;;;;;;;/q4*-2;;;;;2*-1;6*+2;2*-1.
What are the key properties of hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate?
hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate has a molecular weight of 2348.77 g/mol, XLogP of 34.13, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyridin-2-yl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);dihexafluorophosphate;diisothiocyanate is sourced from PubChem (CID 139152433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).