bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol

C40H78Mn4N10O12+2 — CID 6394700

About bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol

bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol (PubChem CID 6394700) has the molecular formula C40H78Mn4N10O12+2 and a molecular weight of 1110.87 g/mol. Its IUPAC name is bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol.

Molecular Properties

• Compound Name: bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
• PubChem CID: 6394700
• Molecular Formula: C40H78Mn4N10O12+2
• Molecular Weight: 1110.87 g/mol
• Exact Mass: 1110.33
• IUPAC Name: bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
• SMILES: CC#N.CC#N.O=[N+](O)O.O=[N+](O)O.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.[Mn+3].[Mn+3].[Mn].[Mn]
• InChI: InChI=1S/5C6H12NO.C6H8NO.2C2H3N.4Mn.2H2NO3/c6*8-5-6-3-1-2-4-7-6;2*1-2-3;;;;;2*2-1(3)4/h5*6,8H,1-5H2;1-3,8H,4-5H2;2*1H3;;;;;2*(H2,2,3,4)/q6*-1;;;;;2*+3;2*+1
• InChIKey: FZZFMOPPLZMUJH-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 374.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.87
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?

The IUPAC name of bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol (CID 6394700) is bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol.

What is the SMILES notation for bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?

The canonical SMILES for bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol is CC#N.CC#N.O=[N+](O)O.O=[N+](O)O.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.[Mn+3].[Mn+3].[Mn].[Mn].

What is the InChIKey of bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?

The InChIKey is FZZFMOPPLZMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H12NO.C6H8NO.2C2H3N.4Mn.2H2NO3/c6*8-5-6-3-1-2-4-7-6;2*1-2-3;;;;;2*2-1(3)4/h5*6,8H,1-5H2;1-3,8H,4-5H2;2*1H3;;;;;2*(H2,2,3,4)/q6*-1;;;;;2*+3;2*+1.

What are the key properties of bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?

bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol has a molecular weight of 1110.87 g/mol, XLogP of 5.47, 6 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);bis(dihydroxy(oxo)azanium);manganese;bis(manganese(3+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol is sourced from PubChem (CID 6394700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).