tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline)

C46H70Mn2N6O14P4 — CID 139137611

About tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline)

tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline) (PubChem CID 139137611) has the molecular formula C46H70Mn2N6O14P4 and a molecular weight of 1164.87 g/mol. Its IUPAC name is tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline).

Molecular Properties

• Compound Name: tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline)
• PubChem CID: 139137611
• Molecular Formula: C46H70Mn2N6O14P4
• Molecular Weight: 1164.87 g/mol
• Exact Mass: 1164.27
• IUPAC Name: tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline)
• SMILES: CC(C)(C)P(=O)([O-])O.CC(C)(C)P(=O)([O-])O.CC(C)(C)P(=O)([O-])O.CC(C)(C)P(=O)([O-])O.CN(C)C=O.CN(C)C=O.[Mn+2].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/2C12H8N2.4C4H11O3P.2C3H7NO.2Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-4(2,3)8(5,6)7;2*1-4(2)3-5;;/h2*1-8H;4*1-3H3,(H2,5,6,7);2*3H,1-2H3;;/q;;;;;;;;2*+2/p-4
• InChIKey: MUHYGVIWIVCUCK-UHFFFAOYSA-J
• XLogP: 6.29
• TPSA: 333.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 2
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1164.87
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline)?

The IUPAC name of tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline) (CID 139137611) is tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline).

What is the SMILES notation for tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline)?

The canonical SMILES for tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline) is CC(C)(C)P(=O)([O-])O.CC(C)(C)P(=O)([O-])O.CC(C)(C)P(=O)([O-])O.CC(C)(C)P(=O)([O-])O.CN(C)C=O.CN(C)C=O.[Mn+2].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline)?

The InChIKey is MUHYGVIWIVCUCK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.4C4H11O3P.2C3H7NO.2Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-4(2,3)8(5,6)7;2*1-4(2)3-5;;/h2*1-8H;4*1-3H3,(H2,5,6,7);2*3H,1-2H3;;/q;;;;;;;;2*+2/p-4.

What are the key properties of tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline)?

tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline) has a molecular weight of 1164.87 g/mol, XLogP of 6.29, 2 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(tert-butyl(hydroxy)phosphinate);bis(N,N-dimethylformamide);bis(manganese(2+));bis(1,10-phenanthroline) is sourced from PubChem (CID 139137611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).