bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate

C38H44Cl2F6Mn2N12O10P-4 — CID 139133295

IUPACbis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate
SMILESCC#N.CC#N.Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.F[P-](F)(F)(F)(F)F.[Mn+3].[Mn].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C17H19N5.2C2H3N.2ClHO4.F6P.2Mn.2O/c2*1-21-11-10-20-17(21)14-22(12-15-6-2-4-8-18-15)13-16-7-3-5-9-19-16;2*1-2-3;2*2-1(3,4)5;1-7(2,3,4,5)6;;;;/h2*2-11H,12-14H2,1H3;2*1H3;2*(H,2,3,4,5);;;;;/q;;;;;;-1;;+3;2*-2/p-2
InChIKeyQJKVHZNZFFEVFV-UHFFFAOYSA-L
MW1154.59 g/mol
LogP-0.49
Rot. Bonds12

About bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate

bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate (PubChem CID 139133295) has the molecular formula C38H44Cl2F6Mn2N12O10P-4 and a molecular weight of 1154.59 g/mol. Its IUPAC name is bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate.

Molecular Properties

Compound Namebis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate
PubChem CID139133295
Molecular FormulaC38H44Cl2F6Mn2N12O10P-4
Molecular Weight1154.59 g/mol
Exact Mass1153.11
IUPAC Namebis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate
SMILESCC#N.CC#N.Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.F[P-](F)(F)(F)(F)F.[Mn+3].[Mn].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C17H19N5.2C2H3N.2ClHO4.F6P.2Mn.2O/c2*1-21-11-10-20-17(21)14-22(12-15-6-2-4-8-18-15)13-16-7-3-5-9-19-16;2*1-2-3;2*2-1(3,4)5;1-7(2,3,4,5)6;;;;/h2*2-11H,12-14H2,1H3;2*1H3;2*(H,2,3,4,5);;;;;/q;;;;;;-1;;+3;2*-2/p-2
InChIKeyQJKVHZNZFFEVFV-UHFFFAOYSA-L
XLogP-0.49
TPSA382.74 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001154.59
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate?
The IUPAC name of bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate (CID 139133295) is bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate.
What is the SMILES notation for bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate?
The canonical SMILES for bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate is CC#N.CC#N.Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.F[P-](F)(F)(F)(F)F.[Mn+3].[Mn].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate?
The InChIKey is QJKVHZNZFFEVFV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H19N5.2C2H3N.2ClHO4.F6P.2Mn.2O/c2*1-21-11-10-20-17(21)14-22(12-15-6-2-4-8-18-15)13-16-7-3-5-9-19-16;2*1-2-3;2*2-1(3,4)5;1-7(2,3,4,5)6;;;;/h2*2-11H,12-14H2,1H3;2*1H3;2*(H,2,3,4,5);;;;;/q;;;;;;-1;;+3;2*-2/p-2.
What are the key properties of bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate?
bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate has a molecular weight of 1154.59 g/mol, XLogP of -0.49, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);manganese;manganese(3+);bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);bis(oxygen(2-));hexafluorophosphate;diperchlorate is sourced from PubChem (CID 139133295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).