tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium

C93H78N18O9Ru3 — CID 158044990

IUPACtris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium
SMILESCc1ccnc(-c2cc(O)ccn2)c1.Cc1ccnc(-c2cc(O)ccn2)c1.Cc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.[Ru].[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C11H10N2O.3C10H8N2O2.3C10H8N2.3Ru/c3*1-8-2-4-12-10(6-8)11-7-9(14)3-5-13-11;3*13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*2-7H,1H3,(H,13,14);3*1-6H,(H,11,13)(H,12,14);3*1-8H;;;
InChIKeyFIUMTJHCIGFDEC-UHFFFAOYSA-N
MW1894.97 g/mol
LogP17.56
Rot. Bonds9

About tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium

tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 158044990) has the molecular formula C93H78N18O9Ru3 and a molecular weight of 1894.97 g/mol. Its IUPAC name is tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Nametris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium
PubChem CID158044990
Molecular FormulaC93H78N18O9Ru3
Molecular Weight1894.97 g/mol
Exact Mass1896.33
IUPAC Nametris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium
SMILESCc1ccnc(-c2cc(O)ccn2)c1.Cc1ccnc(-c2cc(O)ccn2)c1.Cc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.[Ru].[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C11H10N2O.3C10H8N2O2.3C10H8N2.3Ru/c3*1-8-2-4-12-10(6-8)11-7-9(14)3-5-13-11;3*13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*2-7H,1H3,(H,13,14);3*1-6H,(H,11,13)(H,12,14);3*1-8H;;;
InChIKeyFIUMTJHCIGFDEC-UHFFFAOYSA-N
XLogP17.56
TPSA414.09 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001894.97
LogP ≤ 517.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-Dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)
CID 157314476
Bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylphenol;tris(2-phenylpyridine);platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 159017779
2-(3,5-Dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 160386373
2-(3,5-Dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 160925348
tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate
CID 139045128
Bis(2-[[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate);bis(manganese(2+));diperchlorate;trihydrate
CID 139125139
Cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate
CID 139145755
Bis(manganese(2+));bis(tris(6-pyridin-2-yl-2-pyridinyl)methanol);tetraperchlorate;dihydrate
CID 139161442
[(neo)2Ru(4,4'-dhbp)]Cl2
CID 139173479
Cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate
CID 139197567
Bis(4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide
CID 18730376
2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium
CID 58133348

Frequently Asked Questions

What is the IUPAC name of tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium (CID 158044990) is tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium is Cc1ccnc(-c2cc(O)ccn2)c1.Cc1ccnc(-c2cc(O)ccn2)c1.Cc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.[Ru].[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is FIUMTJHCIGFDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H10N2O.3C10H8N2O2.3C10H8N2.3Ru/c3*1-8-2-4-12-10(6-8)11-7-9(14)3-5-13-11;3*13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*2-7H,1H3,(H,13,14);3*1-6H,(H,11,13)(H,12,14);3*1-8H;;;.
What are the key properties of tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium?
tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 1894.97 g/mol, XLogP of 17.56, 9 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 158044990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).