trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)

C113H115Cl4N16Na3O19Ru3S4 — CID 162238835

IUPACtrisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)
SMILESCc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(CO)ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cl[Ru]Cl.Cl[Ru]Cl.O=C(O)CCCc1ccnc(-c2ccccn2)c1.O=C(O)CCCc1ccnc(-c2ccccn2)c1.O=C(O)CCCc1ccnc(-c2ccccn2)c1.[CH3-].[Na+].[Na+].[Na+].[Ru+2]
InChIInChI=1S/3C14H14N2O2.4C12H12N2O3S.C12H12N2O.C10H14.CH3.4ClH.3Na.3Ru/c3*17-14(18)6-3-4-11-7-9-16-13(10-11)12-5-1-2-8-15-12;4*1-9-2-4-13-11(6-9)12-7-10(3-5-14-12)8-18(15,16)17;1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12;1-8(2)10-6-4-9(3)5-7-10;;;;;;;;;;;/h3*1-2,5,7-10H,3-4,6H2,(H,17,18);4*2-7H,8H2,1H3,(H,15,16,17);2-7,15H,8H2,1H3;4-8H,1-3H3;1H3;4*1H;;;;;;/q;;;;;;;;;-1;;;;;3*+1;3*+2/p-8
InChIKeyZTPGZFROEFWISD-UHFFFAOYSA-F
MW2643.52 g/mol
LogP12.92
Rot. Bonds30

About trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)

trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+) (PubChem CID 162238835) has the molecular formula C113H115Cl4N16Na3O19Ru3S4 and a molecular weight of 2643.52 g/mol. Its IUPAC name is trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+).

Molecular Properties

Compound Nametrisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)
PubChem CID162238835
Molecular FormulaC113H115Cl4N16Na3O19Ru3S4
Molecular Weight2643.52 g/mol
Exact Mass2642.30
IUPAC Nametrisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)
SMILESCc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(CO)ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cl[Ru]Cl.Cl[Ru]Cl.O=C(O)CCCc1ccnc(-c2ccccn2)c1.O=C(O)CCCc1ccnc(-c2ccccn2)c1.O=C(O)CCCc1ccnc(-c2ccccn2)c1.[CH3-].[Na+].[Na+].[Na+].[Ru+2]
InChIInChI=1S/3C14H14N2O2.4C12H12N2O3S.C12H12N2O.C10H14.CH3.4ClH.3Na.3Ru/c3*17-14(18)6-3-4-11-7-9-16-13(10-11)12-5-1-2-8-15-12;4*1-9-2-4-13-11(6-9)12-7-10(3-5-14-12)8-18(15,16)17;1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12;1-8(2)10-6-4-9(3)5-7-10;;;;;;;;;;;/h3*1-2,5,7-10H,3-4,6H2,(H,17,18);4*2-7H,8H2,1H3,(H,15,16,17);2-7,15H,8H2,1H3;4-8H,1-3H3;1H3;4*1H;;;;;;/q;;;;;;;;;-1;;;;;3*+1;3*+2/p-8
InChIKeyZTPGZFROEFWISD-UHFFFAOYSA-F
XLogP12.92
TPSA567.17 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002643.52
LogP ≤ 512.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+) with MolForge

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Related Compounds

dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid
CID 140718230
4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane
CID 161329789
tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)
CID 173036609
5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid
CID 121355471
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide
CID 160883880
disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate
CID 58079219
disodium;(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoate;[2-(4-methanidyl-2-pyridinyl)-4-pyridinyl]methanesulfonate;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate;sulfur trioxide
CID 161419497
disodium;(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoate;[2-[4-(oxidoperoxysulfanylmethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonic acid;ruthenium;[2-[4-(sulfomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate
CID 59991506
2-[4-(2-bromoethyl)-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 20704991
disodium;(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoate;[2-(4-methanidyl-2-pyridinyl)-4-pyridinyl]methanesulfonic acid;ruthenium;[2-[4-(sulfomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate;sulfur trioxide
CID 161419498
4-(5-propan-2-yl-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid
CID 4702170

Frequently Asked Questions

What is the IUPAC name of trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)?
The IUPAC name of trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+) (CID 162238835) is trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+).
What is the SMILES notation for trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)?
The canonical SMILES for trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+) is Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(CO)ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.Cl[Ru]Cl.Cl[Ru]Cl.O=C(O)CCCc1ccnc(-c2ccccn2)c1.O=C(O)CCCc1ccnc(-c2ccccn2)c1.O=C(O)CCCc1ccnc(-c2ccccn2)c1.[CH3-].[Na+].[Na+].[Na+].[Ru+2].
What is the InChIKey of trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)?
The InChIKey is ZTPGZFROEFWISD-UHFFFAOYSA-F. The full InChI is InChI=1S/3C14H14N2O2.4C12H12N2O3S.C12H12N2O.C10H14.CH3.4ClH.3Na.3Ru/c3*17-14(18)6-3-4-11-7-9-16-13(10-11)12-5-1-2-8-15-12;4*1-9-2-4-13-11(6-9)12-7-10(3-5-14-12)8-18(15,16)17;1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12;1-8(2)10-6-4-9(3)5-7-10;;;;;;;;;;;/h3*1-2,5,7-10H,3-4,6H2,(H,17,18);4*2-7H,8H2,1H3,(H,15,16,17);2-7,15H,8H2,1H3;4-8H,1-3H3;1H3;4*1H;;;;;;/q;;;;;;;;;-1;;;;;3*+1;3*+2/p-8.
What are the key properties of trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)?
trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+) has a molecular weight of 2643.52 g/mol, XLogP of 12.92, 30 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+) is sourced from PubChem (CID 162238835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).