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

C34H30F12MnN8O14S4 — CID 139170047

IUPACbis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium)
SMILESO=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].[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1
InChIInChI=1S/6C5H5NO.2C2F6NO4S2.Mn/c6*7-6-4-2-1-3-5-6;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*1-5H;;;/q;;;;;;2*-1;+2
InChIKeyMBZRSZUEKVLVFR-UHFFFAOYSA-N
MW1185.84 g/mol
LogP4.04
Rot. Bonds4

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

bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium) (PubChem CID 139170047) has the molecular formula C34H30F12MnN8O14S4 and a molecular weight of 1185.84 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium).

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium)
PubChem CID139170047
Molecular FormulaC34H30F12MnN8O14S4
Molecular Weight1185.84 g/mol
Exact Mass1185.00
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium)
SMILESO=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].[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1
InChIInChI=1S/6C5H5NO.2C2F6NO4S2.Mn/c6*7-6-4-2-1-3-5-6;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*1-5H;;;/q;;;;;;2*-1;+2
InChIKeyMBZRSZUEKVLVFR-UHFFFAOYSA-N
XLogP4.04
TPSA326.40 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.84
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 139159651
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
Tris(1-oxidopyridin-1-ium);bis(oxygen(2-));bis(trifluoromethanesulfonate);uranium
CID 139123352
bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);gold(3+);tris(trifluoromethanesulfonate)
CID 139123491
tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));tetrakis(pyridine);hexakis(trifluoromethanesulfonate)
CID 139123492
bis(acetonitrile);tetrakis(N,N-dimethylpyridin-4-amine);bis(gold(3+));oxygen(2-);bis(pyridine);tetrakis(trifluoromethanesulfonate)
CID 139123494
Palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)
CID 139140724
Tetrakis(oxygen(2-));tridecakis(pyridine);thallium(3+);tris(trifluoromethanesulfonate);bis(uranium(4+))
CID 139149368
disilver;bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine);bis(trifluoromethanesulfonate)
CID 139154539
Disilver;tetrakis(2-methylpyridine);bis(trifluoromethanesulfonate)
CID 139161024
Bis(iron(2+));tetrakis(trifluoromethanesulfonate);tetrakis(tripyridin-2-ylphosphane)
CID 139167574
Acetonitrile;2,14,15-triazonia-8-phospha-1-arsapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;tris(trifluoromethanesulfonate)
CID 139170848

Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium)?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium) (CID 139170047) is bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium).
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium)?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium) is 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].[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium)?
The InChIKey is MBZRSZUEKVLVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H5NO.2C2F6NO4S2.Mn/c6*7-6-4-2-1-3-5-6;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*1-5H;;;/q;;;;;;2*-1;+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium)?
bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium) has a molecular weight of 1185.84 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);hexakis(1-oxidopyridin-1-ium) is sourced from PubChem (CID 139170047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).