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

C52H38Cl2Mn2N8O12 — CID 139068445

IUPACbis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate
SMILESCC(=O)[O-].CC(=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
InChIInChI=1S/4C12H8N2.2C2H4O2.2ClHO4.2Mn/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2(3)4;2*2-1(3,4)5;;/h4*1-8H;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyLXWZHQNWRLEKIQ-UHFFFAOYSA-J
MW1147.70 g/mol
LogP-0.87
Rot. Bonds

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

bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate (PubChem CID 139068445) has the molecular formula C52H38Cl2Mn2N8O12 and a molecular weight of 1147.70 g/mol. Its IUPAC name is bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate.

Molecular Properties

Compound Namebis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate
PubChem CID139068445
Molecular FormulaC52H38Cl2Mn2N8O12
Molecular Weight1147.70 g/mol
Exact Mass1146.07
IUPAC Namebis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate
SMILESCC(=O)[O-].CC(=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
InChIInChI=1S/4C12H8N2.2C2H4O2.2ClHO4.2Mn/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2(3)4;2*2-1(3,4)5;;/h4*1-8H;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyLXWZHQNWRLEKIQ-UHFFFAOYSA-J
XLogP-0.87
TPSA367.86 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.70
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline;ruthenium(2+)
CID 5289316
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 57261388
Tetrakis(2,2'-Bipyridine-Kappa~2~n~1~,N~1'~)(Mu-Tetrapyrido[3,2-A:2',3'-C:3'',2''-H:2''',3'''-J]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~13~,N~14~)diruthenium(4+) L Enantiomer
CID 71737795
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
CID 11980300
Octakis(palladium(2+));octakis(1,10-phenanthroline);octakis(trifluoromethanesulfonate);octaacetate;dihydrate
CID 139097437
Cu[1-(3-[1,10]phenanthrolin-2-yl-phenyl)-3-(4-trifluoromethyl-phenyl)-urea]2Cl
CID 139138462
Copper;oxalate;bis(1,10-phenanthroline)
CID 176468463
Cobalt(3+);tris(1,10-phenanthroline);perchlorate
CID 176468466
Dichlorotris(1,10-phenanthroline)ruthenium(II) hydrate
CID 59869622
Ru(Tmp)3
CID 124201515

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate?
The IUPAC name of bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate (CID 139068445) is bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate.
What is the SMILES notation for bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate?
The canonical SMILES for bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate is CC(=O)[O-].CC(=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 bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate?
The InChIKey is LXWZHQNWRLEKIQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H8N2.2C2H4O2.2ClHO4.2Mn/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2(3)4;2*2-1(3,4)5;;/h4*1-8H;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate?
bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate has a molecular weight of 1147.70 g/mol, XLogP of -0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));tetrakis(1,10-phenanthroline);diacetate;diperchlorate is sourced from PubChem (CID 139068445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).