bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole)

C28H36F12MnN14O8S4 — CID 139170051

IUPACbis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole)
SMILESCn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Mn+2]
InChIInChI=1S/6C4H6N2.2C2F6NO4S2.Mn/c6*1-6-3-2-5-4-6;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*2-4H,1H3;;;/q;;;;;;2*-1;+2
InChIKeyODDHJQHBSLNINA-UHFFFAOYSA-N
MW1107.87 g/mol
LogP4.64
Rot. Bonds4

About bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole)

bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole) (PubChem CID 139170051) has the molecular formula C28H36F12MnN14O8S4 and a molecular weight of 1107.87 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole).

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole)
PubChem CID139170051
Molecular FormulaC28H36F12MnN14O8S4
Molecular Weight1107.87 g/mol
Exact Mass1107.09
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole)
SMILESCn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Mn+2]
InChIInChI=1S/6C4H6N2.2C2F6NO4S2.Mn/c6*1-6-3-2-5-4-6;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*2-4H,1H3;;;/q;;;;;;2*-1;+2
InChIKeyODDHJQHBSLNINA-UHFFFAOYSA-N
XLogP4.64
TPSA271.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.87
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole)?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole) (CID 139170051) is bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole).
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole)?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole) is Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Mn+2].
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole)?
The InChIKey is ODDHJQHBSLNINA-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H6N2.2C2F6NO4S2.Mn/c6*1-6-3-2-5-4-6;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*2-4H,1H3;;;/q;;;;;;2*-1;+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole)?
bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole) has a molecular weight of 1107.87 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-methylimidazole) is sourced from PubChem (CID 139170051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).