tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate

C88H56Cl4Co4N16O20 — CID 139161475

IUPACtetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate
SMILESC(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-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-]
InChIInChI=1S/4C22H14N4.4ClHO4.4Co.4O/c4*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;4*2-1(3,4)5;;;;;;;;/h4*1-12,15-16H;4*(H,2,3,4,5);;;;;;;;/q;;;;;;;;4*+3;4*-2/p-4
InChIKeyZJTMRHKHCZHSTB-UHFFFAOYSA-J
MW2035.05 g/mol
LogP-3.51
Rot. Bonds8

About tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate

tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate (PubChem CID 139161475) has the molecular formula C88H56Cl4Co4N16O20 and a molecular weight of 2035.05 g/mol. Its IUPAC name is tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate.

Molecular Properties

Compound Nametetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate
PubChem CID139161475
Molecular FormulaC88H56Cl4Co4N16O20
Molecular Weight2035.05 g/mol
Exact Mass2031.99
IUPAC Nametetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate
SMILESC(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-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-]
InChIInChI=1S/4C22H14N4.4ClHO4.4Co.4O/c4*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;4*2-1(3,4)5;;;;;;;;/h4*1-12,15-16H;4*(H,2,3,4,5);;;;;;;;/q;;;;;;;;4*+3;4*-2/p-4
InChIKeyZJTMRHKHCZHSTB-UHFFFAOYSA-J
XLogP-3.51
TPSA689.20 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds8
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002035.05
LogP ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate?
The IUPAC name of tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate (CID 139161475) is tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate.
What is the SMILES notation for tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate?
The canonical SMILES for tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate is C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-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-].
What is the InChIKey of tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate?
The InChIKey is ZJTMRHKHCZHSTB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C22H14N4.4ClHO4.4Co.4O/c4*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;4*2-1(3,4)5;;;;;;;;/h4*1-12,15-16H;4*(H,2,3,4,5);;;;;;;;/q;;;;;;;;4*+3;4*-2/p-4.
What are the key properties of tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate?
tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate has a molecular weight of 2035.05 g/mol, XLogP of -3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate is sourced from PubChem (CID 139161475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).