ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate

C68H58Cl2Mn2N8O14 — CID 139162433

About ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate

ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate (PubChem CID 139162433) has the molecular formula C68H58Cl2Mn2N8O14 and a molecular weight of 1392.04 g/mol. Its IUPAC name is ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate.

Molecular Properties

• Compound Name: ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate
• PubChem CID: 139162433
• Molecular Formula: C68H58Cl2Mn2N8O14
• Molecular Weight: 1392.04 g/mol
• Exact Mass: 1390.22
• IUPAC Name: ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate
• SMILES: CCO.CCO.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/4C12H8N2.2C8H8O2.2C2H6O.2ClHO4.2Mn/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-6-4-2-3-5-7(6)8(9)10;2*1-2-3;2*2-1(3,4)5;;/h4*1-8H;2*2-5H,1H3,(H,9,10);2*3H,2H2,1H3;2*(H,2,3,4,5);;/q;;;;;;;;;;2*+2/p-4
• InChIKey: VPEYXKMOGLMZMJ-UHFFFAOYSA-J
• XLogP: 2.33
• TPSA: 408.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 2
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1392.04
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate?

The IUPAC name of ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate (CID 139162433) is ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate.

What is the SMILES notation for ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate?

The canonical SMILES for ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate is CCO.CCO.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate?

The InChIKey is VPEYXKMOGLMZMJ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H8N2.2C8H8O2.2C2H6O.2ClHO4.2Mn/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-6-4-2-3-5-7(6)8(9)10;2*1-2-3;2*2-1(3,4)5;;/h4*1-8H;2*2-5H,1H3,(H,9,10);2*3H,2H2,1H3;2*(H,2,3,4,5);;/q;;;;;;;;;;2*+2/p-4.

What are the key properties of ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate?

ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate has a molecular weight of 1392.04 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate is sourced from PubChem (CID 139162433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).