bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate

C36H38Cl4Co2N8O18 — CID 139143669

IUPACbis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate
SMILES[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-].[OH-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.4ClHO4.2Co.2H2O/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;4*2-1(3,4)5;;;;/h2*1-12H,13-15H2;4*(H,2,3,4,5);;;2*1H2/q;;;;;;2*+3;;/p-6
InChIKeyRAUYPSWPKSIHQW-UHFFFAOYSA-H
MW1130.42 g/mol
LogP-13.23
Rot. Bonds12

About bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate

bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate (PubChem CID 139143669) has the molecular formula C36H38Cl4Co2N8O18 and a molecular weight of 1130.42 g/mol. Its IUPAC name is bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate.

Molecular Properties

Compound Namebis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate
PubChem CID139143669
Molecular FormulaC36H38Cl4Co2N8O18
Molecular Weight1130.42 g/mol
Exact Mass1127.97
IUPAC Namebis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate
SMILES[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-].[OH-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.4ClHO4.2Co.2H2O/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;4*2-1(3,4)5;;;;/h2*1-12H,13-15H2;4*(H,2,3,4,5);;;2*1H2/q;;;;;;2*+3;;/p-6
InChIKeyRAUYPSWPKSIHQW-UHFFFAOYSA-H
XLogP-13.23
TPSA512.78 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.42
LogP ≤ 5-13.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
bis(1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine);iron(2+);iron(3+);oxygen(2-);bis(trifluoromethanesulfonate);hydroxide
CID 53350282
[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573
bis(europium(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrakis(trifluoromethanesulfonate);dihydroxide
CID 139129491
Tris(acetonitrile);bis(erbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132379
Tris(acetonitrile);bis(terbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132380
(La(tpen)(OH))2(Otf)4.3CH3CN
CID 139152416
bis(acetonitrile);iron(3+);bis(iron(4+));tris(oxygen(2-));tris(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 168337013
bis(iron(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(trifluoromethanesulfonate);dihydroxide
CID 168337016
bis(iron(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate);hydroxide;hydrate
CID 168337078
tris(N,N'-bis(2,2-dimethylpropyl)-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine);tris(iron(4+));hexakis(trifluoromethanesulfonate)
CID 168338028
bis(iron(4+));molybdenum;pentakis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(trifluoromethanesulfonate)
CID 168348106

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate?
The IUPAC name of bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate (CID 139143669) is bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate.
What is the SMILES notation for bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate?
The canonical SMILES for bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate is [Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-].[OH-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate?
The InChIKey is RAUYPSWPKSIHQW-UHFFFAOYSA-H. The full InChI is InChI=1S/2C18H18N4.4ClHO4.2Co.2H2O/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;4*2-1(3,4)5;;;;/h2*1-12H,13-15H2;4*(H,2,3,4,5);;;2*1H2/q;;;;;;2*+3;;/p-6.
What are the key properties of bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate?
bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate has a molecular weight of 1130.42 g/mol, XLogP of -13.23, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihydroxide;tetraperchlorate is sourced from PubChem (CID 139143669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).