tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate

C78H72Cl4Mn4N16O28 — CID 139045128

About tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate

tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate (PubChem CID 139045128) has the molecular formula C78H72Cl4Mn4N16O28 and a molecular weight of 2043.08 g/mol. Its IUPAC name is tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate.

Molecular Properties

• Compound Name: tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate
• PubChem CID: 139045128
• Molecular Formula: C78H72Cl4Mn4N16O28
• Molecular Weight: 2043.08 g/mol
• Exact Mass: 2040.10
• IUPAC Name: tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate
• SMILES: CCCO.CCCO.O.O.[Mn+2].[Mn+2].[Mn+2].[Mn+2].[O-]/C(=N\N=C\c1ccccc1O)c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1O)c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1O)c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1O)c1cccc(-c2ccccn2)n1.[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/4C18H14N4O2.2C3H8O.4ClHO4.4Mn.2H2O/c4*23-17-10-2-1-6-13(17)12-20-22-18(24)16-9-5-8-15(21-16)14-7-3-4-11-19-14;2*1-2-3-4;4*2-1(3,4)5;;;;;;/h4*1-12,23H,(H,22,24);2*4H,2-3H2,1H3;4*(H,2,3,4,5);;;;;2*1H2/q;;;;;;;;;;4*+2;;/p-8/b4*20-12+
• InChIKey: KOUZZJUSTTXCHD-BUNJMQKPSA-F
• XLogP: -11.95
• TPSA: 847.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2043.08
LogP ≤ 5	-11.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate?

The IUPAC name of tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate (CID 139045128) is tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate.

What is the SMILES notation for tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate?

The canonical SMILES for tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate is CCCO.CCCO.O.O.[Mn+2].[Mn+2].[Mn+2].[Mn+2].[O-]/C(=N\N=C\c1ccccc1O)c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1O)c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1O)c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1O)c1cccc(-c2ccccn2)n1.[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 tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate?

The InChIKey is KOUZZJUSTTXCHD-BUNJMQKPSA-F. The full InChI is InChI=1S/4C18H14N4O2.2C3H8O.4ClHO4.4Mn.2H2O/c4*23-17-10-2-1-6-13(17)12-20-22-18(24)16-9-5-8-15(21-16)14-7-3-4-11-19-14;2*1-2-3-4;4*2-1(3,4)5;;;;;;/h4*1-12,23H,(H,22,24);2*4H,2-3H2,1H3;4*(H,2,3,4,5);;;;;2*1H2/q;;;;;;;;;;4*+2;;/p-8/b4*20-12+;;;;;;;;;;;;.

What are the key properties of tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate?

tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate has a molecular weight of 2043.08 g/mol, XLogP of -11.95, 18 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate is sourced from PubChem (CID 139045128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).