pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride

C91H84ClN12Na5O22Ru3-4 — CID 159938073

IUPACpentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.O=C([O-])c1ccnc2c1ccc1c(C(=O)[O-])ccnc12.O=C([O-])c1ccnc2c1ccc1c(C(=O)[O-])ccnc12.[Cl-].[Na+].[Na+].[Na+].[Na+].[Na+].[Ru].[Ru].[Ru]
InChIInChI=1S/2C14H8N2O4.C12H8N2O4.2C12H10N2O2.C12H12N2.3C5H12O2.ClH.5Na.3Ru/c2*17-13(18)9-3-5-15-11-7(9)1-2-8-10(14(19)20)4-6-16-12(8)11;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;3*1-4(6)3-5(2)7;;;;;;;;;/h2*1-6H,(H,17,18)(H,19,20);1-6H,(H,15,16)(H,17,18);2*2-7H,1H3,(H,15,16);3-8H,1-2H3;3*4-7H,3H2,1-2H3;1H;;;;;;;;/q;;;;;;;;;;5*+1;;;/p-9
InChIKeyAKYJPCXUCOOWHG-UHFFFAOYSA-E
MW2151.35 g/mol
LogP-15.29
Rot. Bonds18

About pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride

pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride (PubChem CID 159938073) has the molecular formula C91H84ClN12Na5O22Ru3-4 and a molecular weight of 2151.35 g/mol. Its IUPAC name is pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride.

Molecular Properties

Compound Namepentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride
PubChem CID159938073
Molecular FormulaC91H84ClN12Na5O22Ru3-4
Molecular Weight2151.35 g/mol
Exact Mass2152.22
IUPAC Namepentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.O=C([O-])c1ccnc2c1ccc1c(C(=O)[O-])ccnc12.O=C([O-])c1ccnc2c1ccc1c(C(=O)[O-])ccnc12.[Cl-].[Na+].[Na+].[Na+].[Na+].[Na+].[Ru].[Ru].[Ru]
InChIInChI=1S/2C14H8N2O4.C12H8N2O4.2C12H10N2O2.C12H12N2.3C5H12O2.ClH.5Na.3Ru/c2*17-13(18)9-3-5-15-11-7(9)1-2-8-10(14(19)20)4-6-16-12(8)11;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;3*1-4(6)3-5(2)7;;;;;;;;;/h2*1-6H,(H,17,18)(H,19,20);1-6H,(H,15,16)(H,17,18);2*2-7H,1H3,(H,15,16);3-8H,1-2H3;3*4-7H,3H2,1-2H3;1H;;;;;;;;/q;;;;;;;;;;5*+1;;;/p-9
InChIKeyAKYJPCXUCOOWHG-UHFFFAOYSA-E
XLogP-15.29
TPSA597.10 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002151.35
LogP ≤ 5-15.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride with MolForge

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Related Compounds

Sodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide
CID 160669466
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769
tris(dibenzoylmethanido)(o-phenanthroline)europium(III)
CID 139065699
Bis(4-carboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);bis(manganese(2+));tetrakis(1,10-phenanthroline);hexahydrate
CID 139147831
Copper;ethanol;bis(1,10-phenanthroline);phthalate;trihydrate
CID 139156169
Ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate
CID 139162433
Dizinc;tetrakis(5-cyanopyridine-2-carboxylate);methanol;bis(1,10-phenanthroline);toluene
CID 139177647
Tris-1,10-phenanthroline cobalt(III) Boron(bis-mandelate)
CID 139186580
Anthracene-9,10-dicarboxylate;bis(cadmium(2+));bis(10-carboxyanthracene-9-carboxylate);tetrakis(1,10-phenanthroline)
CID 139197517
Tetracopper;tetrakis(6-carboxypyridine-2-carboxylate);bis(1,10-phenanthroline);bis(pyridine-2,6-dicarboxylate);undecahydrate
CID 139197745
Dicopper;bis(2-(3-carboxylato-1-oxidopyridin-1-ium-2-yl)-1-oxidopyridin-1-ium-3-carboxylate);bis(1,10-phenanthroline);decahydrate
CID 139199413
Dodecakis(2-methylbenzoate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+));dihydrate
CID 139207076

Frequently Asked Questions

What is the IUPAC name of pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride?
The IUPAC name of pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride (CID 159938073) is pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride.
What is the SMILES notation for pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride?
The canonical SMILES for pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.O=C([O-])c1ccnc2c1ccc1c(C(=O)[O-])ccnc12.O=C([O-])c1ccnc2c1ccc1c(C(=O)[O-])ccnc12.[Cl-].[Na+].[Na+].[Na+].[Na+].[Na+].[Ru].[Ru].[Ru].
What is the InChIKey of pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride?
The InChIKey is AKYJPCXUCOOWHG-UHFFFAOYSA-E. The full InChI is InChI=1S/2C14H8N2O4.C12H8N2O4.2C12H10N2O2.C12H12N2.3C5H12O2.ClH.5Na.3Ru/c2*17-13(18)9-3-5-15-11-7(9)1-2-8-10(14(19)20)4-6-16-12(8)11;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;3*1-4(6)3-5(2)7;;;;;;;;;/h2*1-6H,(H,17,18)(H,19,20);1-6H,(H,15,16)(H,17,18);2*2-7H,1H3,(H,15,16);3-8H,1-2H3;3*4-7H,3H2,1-2H3;1H;;;;;;;;/q;;;;;;;;;;5*+1;;;/p-9.
What are the key properties of pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride?
pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride has a molecular weight of 2151.35 g/mol, XLogP of -15.29, 18 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride is sourced from PubChem (CID 159938073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).