bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate

C44H50Cl4Co2N10O21 — CID 139157069

IUPACbis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate
SMILESO.O=C([O-])CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.O=C([O-])CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.[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-]
InChIInChI=1S/2C22H25N5O2.4ClHO4.2Co.H2O/c2*28-22(29)18-27(17-21-9-3-6-12-25-21)14-13-26(15-19-7-1-4-10-23-19)16-20-8-2-5-11-24-20;4*2-1(3,4)5;;;/h2*1-12H,13-18H2,(H,28,29);4*(H,2,3,4,5);;;1H2/q;;;;;;2*+3;/p-6
InChIKeyZVQCQOUGTLMFQW-UHFFFAOYSA-H
MW1314.61 g/mol
LogP-17.60
Rot. Bonds22

About bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate

bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate (PubChem CID 139157069) has the molecular formula C44H50Cl4Co2N10O21 and a molecular weight of 1314.61 g/mol. Its IUPAC name is bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate.

Molecular Properties

Compound Namebis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate
PubChem CID139157069
Molecular FormulaC44H50Cl4Co2N10O21
Molecular Weight1314.61 g/mol
Exact Mass1312.06
IUPAC Namebis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate
SMILESO.O=C([O-])CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.O=C([O-])CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.[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-]
InChIInChI=1S/2C22H25N5O2.4ClHO4.2Co.H2O/c2*28-22(29)18-27(17-21-9-3-6-12-25-21)14-13-26(15-19-7-1-4-10-23-19)16-20-8-2-5-11-24-20;4*2-1(3,4)5;;;/h2*1-12H,13-18H2,(H,28,29);4*(H,2,3,4,5);;;1H2/q;;;;;;2*+3;/p-6
InChIKeyZVQCQOUGTLMFQW-UHFFFAOYSA-H
XLogP-17.60
TPSA571.02 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001314.61
LogP ≤ 5-17.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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Related Compounds

{2,2'-[(1r,2r)-Cyclohexane-1,2-Diylbis{[(Pyridin-2-Yl-Kappan)methyl]imino-Kappan}]diacetato-Kappao(2-)}iron
CID 135566694
[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
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Dioxidanium;2-[[6-[2-[6-[[carboxylatomethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]acetate;bis(iron(4+));oxygen(2-);bis(trifluoromethanesulfonate);dihydrate
CID 168302432
bis(iron(4+));oxygen(2-);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate);acetate;dihydrate
CID 168337876
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine
CID 137349670
Cu-tpbn
CID 139048259
Bis-dioxo ((N,N,N',N'-tetrakis (2-pyridylmethyl-2-ol-1,3-propanediamine)-divanadium (V) Iodide dihydrate ((VO~2~)~2~ (TPHPN))I.2H~2~O
CID 139054289
bis(oxygen(2-));bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);rhenium;tetrahexafluorophosphate;tetrahydrate
CID 139057412
bis(2,2':6',2''-terpyridine-kappa^3^N)zinc(II) hexaoxo-mu-peroxo-disulfate(VI) dihydrate N,N-dimethylformamide solvate
CID 139059230
Pentakis(2,6-dipyridin-2-ylpyridine);pentakis(lead(2+));decaperchlorate
CID 139060571
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Frequently Asked Questions

What is the IUPAC name of bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate?
The IUPAC name of bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate (CID 139157069) is bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate.
What is the SMILES notation for bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate?
The canonical SMILES for bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate is O.O=C([O-])CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.O=C([O-])CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.[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-].
What is the InChIKey of bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate?
The InChIKey is ZVQCQOUGTLMFQW-UHFFFAOYSA-H. The full InChI is InChI=1S/2C22H25N5O2.4ClHO4.2Co.H2O/c2*28-22(29)18-27(17-21-9-3-6-12-25-21)14-13-26(15-19-7-1-4-10-23-19)16-20-8-2-5-11-24-20;4*2-1(3,4)5;;;/h2*1-12H,13-18H2,(H,28,29);4*(H,2,3,4,5);;;1H2/q;;;;;;2*+3;/p-6.
What are the key properties of bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate?
bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate has a molecular weight of 1314.61 g/mol, XLogP of -17.60, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate is sourced from PubChem (CID 139157069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).