cobalt(3+);tris(ethane-1,2-diamine);triperchlorate

C6H24Cl3CoN6O12 — CID 12059587

IUPACcobalt(3+);tris(ethane-1,2-diamine);triperchlorate
SMILESNCCN.NCCN.NCCN.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C2H8N2.3ClHO4.Co/c3*3-1-2-4;3*2-1(3,4)5;/h3*1-4H2;3*(H,2,3,4,5);/q;;;;;;+3/p-3
InChIKeyXBQJWXIVEDRIOO-UHFFFAOYSA-K
MW537.58 g/mol
LogP-17.56
Rot. Bonds3

About cobalt(3+);tris(ethane-1,2-diamine);triperchlorate

cobalt(3+);tris(ethane-1,2-diamine);triperchlorate (PubChem CID 12059587) has the molecular formula C6H24Cl3CoN6O12 and a molecular weight of 537.58 g/mol. Its IUPAC name is cobalt(3+);tris(ethane-1,2-diamine);triperchlorate.

Molecular Properties

Compound Namecobalt(3+);tris(ethane-1,2-diamine);triperchlorate
PubChem CID12059587
Molecular FormulaC6H24Cl3CoN6O12
Molecular Weight537.58 g/mol
Exact Mass535.98
IUPAC Namecobalt(3+);tris(ethane-1,2-diamine);triperchlorate
SMILESNCCN.NCCN.NCCN.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C2H8N2.3ClHO4.Co/c3*3-1-2-4;3*2-1(3,4)5;/h3*1-4H2;3*(H,2,3,4,5);/q;;;;;;+3/p-3
InChIKeyXBQJWXIVEDRIOO-UHFFFAOYSA-K
XLogP-17.56
TPSA432.84 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500537.58
LogP ≤ 5-17.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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Related Compounds

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CID 159340027
CID 159340027
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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(ethane-1,2-diamine);triperchlorate?
The IUPAC name of cobalt(3+);tris(ethane-1,2-diamine);triperchlorate (CID 12059587) is cobalt(3+);tris(ethane-1,2-diamine);triperchlorate.
What is the SMILES notation for cobalt(3+);tris(ethane-1,2-diamine);triperchlorate?
The canonical SMILES for cobalt(3+);tris(ethane-1,2-diamine);triperchlorate is NCCN.NCCN.NCCN.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of cobalt(3+);tris(ethane-1,2-diamine);triperchlorate?
The InChIKey is XBQJWXIVEDRIOO-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H8N2.3ClHO4.Co/c3*3-1-2-4;3*2-1(3,4)5;/h3*1-4H2;3*(H,2,3,4,5);/q;;;;;;+3/p-3.
What are the key properties of cobalt(3+);tris(ethane-1,2-diamine);triperchlorate?
cobalt(3+);tris(ethane-1,2-diamine);triperchlorate has a molecular weight of 537.58 g/mol, XLogP of -17.56, 3 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(ethane-1,2-diamine);triperchlorate is sourced from PubChem (CID 12059587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).