bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate

C94H106Cl2Co2N16O8 — CID 139161213

IUPACbis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate
SMILESCCCCCC.CCCCCCCCCCc1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.CCCCCCCCCCc1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1
InChIInChI=1S/2C27H33N4.2C17H13N4.C6H14.2ClHO4.2Co/c2*1-2-3-4-5-6-7-8-9-14-23-18-20-24(21-19-23)29-25-15-10-11-16-26(25)30-31-27-17-12-13-22-28-27;2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;1-3-5-6-4-2;2*2-1(3,4)5;;/h2*10-13,15-22H,2-9,14H2,1H3;2*1-13H;3-6H2,1-2H3;2*(H,2,3,4,5);;/q4*-1;;;;2*+3/p-2/b2*31-30+;2*21-20+;;;;;
InChIKeyUZXGNQMATAJMHE-XAHKTQEOSA-L
MW1776.76 g/mol
LogP23.77
Rot. Bonds37

About bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate

bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate (PubChem CID 139161213) has the molecular formula C94H106Cl2Co2N16O8 and a molecular weight of 1776.76 g/mol. Its IUPAC name is bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate.

Molecular Properties

Compound Namebis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate
PubChem CID139161213
Molecular FormulaC94H106Cl2Co2N16O8
Molecular Weight1776.76 g/mol
Exact Mass1774.64
IUPAC Namebis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate
SMILESCCCCCC.CCCCCCCCCCc1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.CCCCCCCCCCc1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1
InChIInChI=1S/2C27H33N4.2C17H13N4.C6H14.2ClHO4.2Co/c2*1-2-3-4-5-6-7-8-9-14-23-18-20-24(21-19-23)29-25-15-10-11-16-26(25)30-31-27-17-12-13-22-28-27;2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;1-3-5-6-4-2;2*2-1(3,4)5;;/h2*10-13,15-22H,2-9,14H2,1H3;2*1-13H;3-6H2,1-2H3;2*(H,2,3,4,5);;/q4*-1;;;;2*+3/p-2/b2*31-30+;2*21-20+;;;;;
InChIKeyUZXGNQMATAJMHE-XAHKTQEOSA-L
XLogP23.77
TPSA391.32 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.76
LogP ≤ 523.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate?
The IUPAC name of bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate (CID 139161213) is bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate.
What is the SMILES notation for bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate?
The canonical SMILES for bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate is CCCCCC.CCCCCCCCCCc1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.CCCCCCCCCCc1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.
What is the InChIKey of bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate?
The InChIKey is UZXGNQMATAJMHE-XAHKTQEOSA-L. The full InChI is InChI=1S/2C27H33N4.2C17H13N4.C6H14.2ClHO4.2Co/c2*1-2-3-4-5-6-7-8-9-14-23-18-20-24(21-19-23)29-25-15-10-11-16-26(25)30-31-27-17-12-13-22-28-27;2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;1-3-5-6-4-2;2*2-1(3,4)5;;/h2*10-13,15-22H,2-9,14H2,1H3;2*1-13H;3-6H2,1-2H3;2*(H,2,3,4,5);;/q4*-1;;;;2*+3/p-2/b2*31-30+;2*21-20+;;;;;.
What are the key properties of bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate?
bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate has a molecular weight of 1776.76 g/mol, XLogP of 23.77, 37 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate is sourced from PubChem (CID 139161213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).