bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide

C64H72Cl2Co2N8O12 — CID 139143792

IUPACbis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide
SMILES[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][O-].[O-][O-].c1ccc(CN(Cc2ccccn2)[C@@H]2CCCC[C@H]2N(Cc2ccccc2)Cc2ccccn2)cc1.c1ccc(CN(Cc2ccccn2)[C@H]2CCCC[C@@H]2N(Cc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/2C32H36N4.2ClHO4.2Co.2O2/c2*1-3-13-27(14-4-1)23-35(25-29-17-9-11-21-33-29)31-19-7-8-20-32(31)36(24-28-15-5-2-6-16-28)26-30-18-10-12-22-34-30;2*2-1(3,4)5;;;2*1-2/h2*1-6,9-18,21-22,31-32H,7-8,19-20,23-26H2;2*(H,2,3,4,5);;;;/q;;;;2*+3;2*-2/p-2/t2*31-,32-;;;;;;/m10....../s1
InChIKeyOTNFAUATLOLFFM-JZKZKSTLSA-L
MW1334.10 g/mol
LogP-1.29
Rot. Bonds20

About bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide

bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide (PubChem CID 139143792) has the molecular formula C64H72Cl2Co2N8O12 and a molecular weight of 1334.10 g/mol. Its IUPAC name is bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide.

Molecular Properties

Compound Namebis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide
PubChem CID139143792
Molecular FormulaC64H72Cl2Co2N8O12
Molecular Weight1334.10 g/mol
Exact Mass1332.33
IUPAC Namebis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide
SMILES[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][O-].[O-][O-].c1ccc(CN(Cc2ccccn2)[C@@H]2CCCC[C@H]2N(Cc2ccccc2)Cc2ccccn2)cc1.c1ccc(CN(Cc2ccccn2)[C@H]2CCCC[C@@H]2N(Cc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/2C32H36N4.2ClHO4.2Co.2O2/c2*1-3-13-27(14-4-1)23-35(25-29-17-9-11-21-33-29)31-19-7-8-20-32(31)36(24-28-15-5-2-6-16-28)26-30-18-10-12-22-34-30;2*2-1(3,4)5;;;2*1-2/h2*1-6,9-18,21-22,31-32H,7-8,19-20,23-26H2;2*(H,2,3,4,5);;;;/q;;;;2*+3;2*-2/p-2/t2*31-,32-;;;;;;/m10....../s1
InChIKeyOTNFAUATLOLFFM-JZKZKSTLSA-L
XLogP-1.29
TPSA341.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001334.10
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide?
The IUPAC name of bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide (CID 139143792) is bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide.
What is the SMILES notation for bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide?
The canonical SMILES for bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide is [Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][O-].[O-][O-].c1ccc(CN(Cc2ccccn2)[C@@H]2CCCC[C@H]2N(Cc2ccccc2)Cc2ccccn2)cc1.c1ccc(CN(Cc2ccccn2)[C@H]2CCCC[C@@H]2N(Cc2ccccc2)Cc2ccccn2)cc1.
What is the InChIKey of bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide?
The InChIKey is OTNFAUATLOLFFM-JZKZKSTLSA-L. The full InChI is InChI=1S/2C32H36N4.2ClHO4.2Co.2O2/c2*1-3-13-27(14-4-1)23-35(25-29-17-9-11-21-33-29)31-19-7-8-20-32(31)36(24-28-15-5-2-6-16-28)26-30-18-10-12-22-34-30;2*2-1(3,4)5;;;2*1-2/h2*1-6,9-18,21-22,31-32H,7-8,19-20,23-26H2;2*(H,2,3,4,5);;;;/q;;;;2*+3;2*-2/p-2/t2*31-,32-;;;;;;/m10....../s1.
What are the key properties of bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide?
bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide has a molecular weight of 1334.10 g/mol, XLogP of -1.29, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide is sourced from PubChem (CID 139143792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).