tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate

C80H88Cl8Co4N32O32 — CID 139143582

IUPACtetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate
SMILESC/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.[Co+2].[Co+2].[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C20H22N8.8ClHO4.4Co/c4*1-15(25-27(3)19-9-5-7-11-21-19)17-13-24-18(14-23-17)16(2)26-28(4)20-10-6-8-12-22-20;8*2-1(3,4)5;;;;/h4*5-14H,1-4H3;8*(H,2,3,4,5);;;;/q;;;;;;;;;;;;4*+2/p-8/b4*25-15+,26-16+;;;;;;;;;;;;
InChIKeyLEIXMVGKRANJHA-VNGGKZRFSA-F
MW2529.13 g/mol
LogP-26.11
Rot. Bonds24

About tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate

tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate (PubChem CID 139143582) has the molecular formula C80H88Cl8Co4N32O32 and a molecular weight of 2529.13 g/mol. Its IUPAC name is tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate.

Molecular Properties

Compound Nametetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate
PubChem CID139143582
Molecular FormulaC80H88Cl8Co4N32O32
Molecular Weight2529.13 g/mol
Exact Mass2524.11
IUPAC Nametetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate
SMILESC/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.[Co+2].[Co+2].[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C20H22N8.8ClHO4.4Co/c4*1-15(25-27(3)19-9-5-7-11-21-19)17-13-24-18(14-23-17)16(2)26-28(4)20-10-6-8-12-22-20;8*2-1(3,4)5;;;;/h4*5-14H,1-4H3;8*(H,2,3,4,5);;;;/q;;;;;;;;;;;;4*+2/p-8/b4*25-15+,26-16+;;;;;;;;;;;;
InChIKeyLEIXMVGKRANJHA-VNGGKZRFSA-F
XLogP-26.11
TPSA1068.96 Ų
H-Bond Donors
H-Bond Acceptors64
Rotatable Bonds24
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002529.13
LogP ≤ 5-26.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

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

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Related Compounds

CID 159478249
CID 159478249
CID 161255345
CID 161255345
bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate
CID 139045238
Pentakis(cobalt(2+));tetrakis(dichloromethane);tetrakis(pyrazin-2-yl-(6-pyrazin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate
CID 139151348
2-Imidazol-3-id-2-ylimidazol-3-ide;bis(osmium(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139166550
Bis(iron(2+));bis(propan-2-one);tetrakis(2-pyridin-2-yl-6-(3-pyridin-2-ylpyrazol-1-yl)pyridine);tetraperchlorate
CID 139173832
Nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate
CID 139180182
Dicopper;dioxidanium;bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);diperchlorate;dihydrate
CID 168302491
Dioxidanium;bis(acetonitrile);bis(iron(2+));bis(2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine);tetraperchlorate
CID 168336934
Dicopper;bis(6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine);diazide;diperchlorate
CID 168337108
Tetraoxidanium;cobalt(2+);hexakis([1,2,5]selenadiazolo[3,4-b]pyridine);diperchlorate
CID 168337761
carbon monoxide;cobalt(2+);bis(N-methyl-5-nitro-N-[(E)-1-pyrazin-2-ylethylideneamino]pyridin-2-amine);diperchlorate
CID 168339924

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate?
The IUPAC name of tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate (CID 139143582) is tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate.
What is the SMILES notation for tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate?
The canonical SMILES for tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate is C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.C/C(=N\N(C)c1ccccn1)c1cnc(/C(C)=N/N(C)c2ccccn2)cn1.[Co+2].[Co+2].[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate?
The InChIKey is LEIXMVGKRANJHA-VNGGKZRFSA-F. The full InChI is InChI=1S/4C20H22N8.8ClHO4.4Co/c4*1-15(25-27(3)19-9-5-7-11-21-19)17-13-24-18(14-23-17)16(2)26-28(4)20-10-6-8-12-22-20;8*2-1(3,4)5;;;;/h4*5-14H,1-4H3;8*(H,2,3,4,5);;;;/q;;;;;;;;;;;;4*+2/p-8/b4*25-15+,26-16+;;;;;;;;;;;;.
What are the key properties of tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate?
tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate has a molecular weight of 2529.13 g/mol, XLogP of -26.11, 24 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate is sourced from PubChem (CID 139143582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).