bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate

C58H50Cl4Mn3N26O16-2 — CID 139045236

About bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate

bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate (PubChem CID 139045236) has the molecular formula C58H50Cl4Mn3N26O16-2 and a molecular weight of 1673.83 g/mol. Its IUPAC name is bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate.

Molecular Properties

• Compound Name: bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate
• PubChem CID: 139045236
• Molecular Formula: C58H50Cl4Mn3N26O16-2
• Molecular Weight: 1673.83 g/mol
• Exact Mass: 1671.08
• IUPAC Name: bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate
• SMILES: N/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1.N/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1.[Mn+2].[Mn].[Mn].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/2C29H25N13.4ClHO4.3Mn/c2*30-26(22-12-5-10-20(36-22)18-8-1-3-16-34-18)39-41-28(32)24-14-7-15-25(38-24)29(33)42-40-27(31)23-13-6-11-21(37-23)19-9-2-4-17-35-19;4*2-1(3,4)5;;;/h2*1-17H,(H2,30,39)(H2,31,40)(H2,32,41)(H2,33,42);4*(H,2,3,4,5);;;/q;;;;;;;;+2/p-4
• InChIKey: UWQGXENJTMWPEC-UHFFFAOYSA-J
• XLogP: -14.94
• TPSA: 804.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1673.83
LogP ≤ 5	-14.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate?

The IUPAC name of bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate (CID 139045236) is bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate.

What is the SMILES notation for bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate?

The canonical SMILES for bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate is N/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1.N/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1.[Mn+2].[Mn].[Mn].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate?

The InChIKey is UWQGXENJTMWPEC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C29H25N13.4ClHO4.3Mn/c2*30-26(22-12-5-10-20(36-22)18-8-1-3-16-34-18)39-41-28(32)24-14-7-15-25(38-24)29(33)42-40-27(31)23-13-6-11-21(37-23)19-9-2-4-17-35-19;4*2-1(3,4)5;;;/h2*1-17H,(H2,30,39)(H2,31,40)(H2,32,41)(H2,33,42);4*(H,2,3,4,5);;;/q;;;;;;;;+2/p-4.

What are the key properties of bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate?

bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate has a molecular weight of 1673.83 g/mol, XLogP of -14.94, 16 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate is sourced from PubChem (CID 139045236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).