manganese(2+);bis(1,10-phenanthroline);dinitrate

C24H16MnN6O6 — CID 139084318

IUPACmanganese(2+);bis(1,10-phenanthroline);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.Mn.2NO3/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*2-1(3)4/h2*1-8H;;;/q;;+2;2*-1
InChIKeyNYXGNXFQFBYODV-UHFFFAOYSA-N
MW539.37 g/mol
LogP5.09
Rot. Bonds

About manganese(2+);bis(1,10-phenanthroline);dinitrate

manganese(2+);bis(1,10-phenanthroline);dinitrate (PubChem CID 139084318) has the molecular formula C24H16MnN6O6 and a molecular weight of 539.37 g/mol. Its IUPAC name is manganese(2+);bis(1,10-phenanthroline);dinitrate.

Molecular Properties

Compound Namemanganese(2+);bis(1,10-phenanthroline);dinitrate
PubChem CID139084318
Molecular FormulaC24H16MnN6O6
Molecular Weight539.37 g/mol
Exact Mass539.05
IUPAC Namemanganese(2+);bis(1,10-phenanthroline);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.Mn.2NO3/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*2-1(3)4/h2*1-8H;;;/q;;+2;2*-1
InChIKeyNYXGNXFQFBYODV-UHFFFAOYSA-N
XLogP5.09
TPSA183.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline ferrous perchlorate
CID 84537
1,10-Phenanthroline ferrous sulfate
CID 84567
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
Pt(Phen)Cl2, 2
CID 3524225
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
(8S)-N-(3-piperazin-1-ylpropyl)-N-[[9-(pyridin-2-ylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176597
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
Nickel(2+), tris(4,7-diphenyl-1,10-phenanthroline-kappaN1,kappaN10)-, (OC-6-11)-, nitrate (1:2)
CID 11979834
Tris(1,10-phenanthroline); dichlororuthenium
CID 6096197

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(1,10-phenanthroline);dinitrate?
The IUPAC name of manganese(2+);bis(1,10-phenanthroline);dinitrate (CID 139084318) is manganese(2+);bis(1,10-phenanthroline);dinitrate.
What is the SMILES notation for manganese(2+);bis(1,10-phenanthroline);dinitrate?
The canonical SMILES for manganese(2+);bis(1,10-phenanthroline);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of manganese(2+);bis(1,10-phenanthroline);dinitrate?
The InChIKey is NYXGNXFQFBYODV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.Mn.2NO3/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*2-1(3)4/h2*1-8H;;;/q;;+2;2*-1.
What are the key properties of manganese(2+);bis(1,10-phenanthroline);dinitrate?
manganese(2+);bis(1,10-phenanthroline);dinitrate has a molecular weight of 539.37 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(1,10-phenanthroline);dinitrate is sourced from PubChem (CID 139084318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).