hexakis(1-benzylimidazole);manganese(2+);diperchlorate

C60H60Cl2MnN12O8 — CID 139081431

IUPAChexakis(1-benzylimidazole);manganese(2+);diperchlorate
SMILES[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/6C10H10N2.2ClHO4.Mn/c6*1-2-4-10(5-3-1)8-12-7-6-11-9-12;2*2-1(3,4)5;/h6*1-7,9H,8H2;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2
InChIKeyRZWGTWPMYSZBOA-UHFFFAOYSA-L
MW1203.06 g/mol
LogP2.07
Rot. Bonds12

About hexakis(1-benzylimidazole);manganese(2+);diperchlorate

hexakis(1-benzylimidazole);manganese(2+);diperchlorate (PubChem CID 139081431) has the molecular formula C60H60Cl2MnN12O8 and a molecular weight of 1203.06 g/mol. Its IUPAC name is hexakis(1-benzylimidazole);manganese(2+);diperchlorate.

Molecular Properties

Compound Namehexakis(1-benzylimidazole);manganese(2+);diperchlorate
PubChem CID139081431
Molecular FormulaC60H60Cl2MnN12O8
Molecular Weight1203.06 g/mol
Exact Mass1201.34
IUPAC Namehexakis(1-benzylimidazole);manganese(2+);diperchlorate
SMILES[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/6C10H10N2.2ClHO4.Mn/c6*1-2-4-10(5-3-1)8-12-7-6-11-9-12;2*2-1(3,4)5;/h6*1-7,9H,8H2;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2
InChIKeyRZWGTWPMYSZBOA-UHFFFAOYSA-L
XLogP2.07
TPSA291.40 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.06
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Frequently Asked Questions

What is the IUPAC name of hexakis(1-benzylimidazole);manganese(2+);diperchlorate?
The IUPAC name of hexakis(1-benzylimidazole);manganese(2+);diperchlorate (CID 139081431) is hexakis(1-benzylimidazole);manganese(2+);diperchlorate.
What is the SMILES notation for hexakis(1-benzylimidazole);manganese(2+);diperchlorate?
The canonical SMILES for hexakis(1-benzylimidazole);manganese(2+);diperchlorate is [Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of hexakis(1-benzylimidazole);manganese(2+);diperchlorate?
The InChIKey is RZWGTWPMYSZBOA-UHFFFAOYSA-L. The full InChI is InChI=1S/6C10H10N2.2ClHO4.Mn/c6*1-2-4-10(5-3-1)8-12-7-6-11-9-12;2*2-1(3,4)5;/h6*1-7,9H,8H2;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2.
What are the key properties of hexakis(1-benzylimidazole);manganese(2+);diperchlorate?
hexakis(1-benzylimidazole);manganese(2+);diperchlorate has a molecular weight of 1203.06 g/mol, XLogP of 2.07, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1-benzylimidazole);manganese(2+);diperchlorate is sourced from PubChem (CID 139081431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).