1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+)

C24H44N4NiO7 — CID 10674385

IUPAC1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+)
SMILESCC1(C)CNCC2(C)OCCOCCOCCOCCOC(C)(CNCC(C)(C)[N-]C2=O)C(=O)[N-]1.[Ni+2]
InChIInChI=1S/C24H46N4O7.Ni/c1-21(2)15-25-17-24(6)20(30)28-22(3,4)16-26-18-23(5,19(29)27-21)34-13-11-32-9-7-31-8-10-33-12-14-35-24;/h25-26H,7-18H2,1-6H3,(H2,27,28,29,30);/q;+2/p-2
InChIKeyXSYDBSRYYBOCJE-UHFFFAOYSA-L
MW559.33 g/mol
LogP1.15
Rot. Bonds

About 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+)

1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+) (PubChem CID 10674385) has the molecular formula C24H44N4NiO7 and a molecular weight of 559.33 g/mol. Its IUPAC name is 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+).

Molecular Properties

Compound Name1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+)
PubChem CID10674385
Molecular FormulaC24H44N4NiO7
Molecular Weight559.33 g/mol
Exact Mass558.26
IUPAC Name1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+)
SMILESCC1(C)CNCC2(C)OCCOCCOCCOCCOC(C)(CNCC(C)(C)[N-]C2=O)C(=O)[N-]1.[Ni+2]
InChIInChI=1S/C24H46N4O7.Ni/c1-21(2)15-25-17-24(6)20(30)28-22(3,4)16-26-18-23(5,19(29)27-21)34-13-11-32-9-7-31-8-10-33-12-14-35-24;/h25-26H,7-18H2,1-6H3,(H2,27,28,29,30);/q;+2/p-2
InChIKeyXSYDBSRYYBOCJE-UHFFFAOYSA-L
XLogP1.15
TPSA132.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+) with MolForge

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Related Compounds

(1R,15R)-1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-17,20,23,26-tetrazabicyclo[13.6.6]heptacosane-16,22-dione
CID 102017093
1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-17,20,23,26-tetrazabicyclo[13.6.6]heptacosane-16,22-dione
CID 10674386
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Frequently Asked Questions

What is the IUPAC name of 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+)?
The IUPAC name of 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+) (CID 10674385) is 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+).
What is the SMILES notation for 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+)?
The canonical SMILES for 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+) is CC1(C)CNCC2(C)OCCOCCOCCOCCOC(C)(CNCC(C)(C)[N-]C2=O)C(=O)[N-]1.[Ni+2].
What is the InChIKey of 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+)?
The InChIKey is XSYDBSRYYBOCJE-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H46N4O7.Ni/c1-21(2)15-25-17-24(6)20(30)28-22(3,4)16-26-18-23(5,19(29)27-21)34-13-11-32-9-7-31-8-10-33-12-14-35-24;/h25-26H,7-18H2,1-6H3,(H2,27,28,29,30);/q;+2/p-2.
What are the key properties of 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+)?
1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+) has a molecular weight of 559.33 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-20,26-diaza-17,23-diazanidabicyclo[13.6.6]heptacosane-16,22-dione;nickel(2+) is sourced from PubChem (CID 10674385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).