dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane)

C48H66Cl2N6O9RuSi3 — CID 173130533

IUPACdichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane)
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccccn2)nc1.CCO[Si](OCC)(OCC)c1ccc(-c2ccccn2)nc1.CCO[Si](OCC)(OCC)c1ccc(-c2ccccn2)nc1.Cl[Ru]Cl
InChIInChI=1S/3C16H22N2O3Si.2ClH.Ru/c3*1-4-19-22(20-5-2,21-6-3)14-10-11-16(18-13-14)15-9-7-8-12-17-15;;;/h3*7-13H,4-6H2,1-3H3;2*1H;/q;;;;;+2/p-2
InChIKeyMCMFCOYRCPZXTJ-UHFFFAOYSA-L
MW1127.32 g/mol
LogP8.57
Rot. Bonds24

About dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane)

dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane) (PubChem CID 173130533) has the molecular formula C48H66Cl2N6O9RuSi3 and a molecular weight of 1127.32 g/mol. Its IUPAC name is dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane).

Molecular Properties

Compound Namedichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane)
PubChem CID173130533
Molecular FormulaC48H66Cl2N6O9RuSi3
Molecular Weight1127.32 g/mol
Exact Mass1126.26
IUPAC Namedichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane)
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccccn2)nc1.CCO[Si](OCC)(OCC)c1ccc(-c2ccccn2)nc1.CCO[Si](OCC)(OCC)c1ccc(-c2ccccn2)nc1.Cl[Ru]Cl
InChIInChI=1S/3C16H22N2O3Si.2ClH.Ru/c3*1-4-19-22(20-5-2,21-6-3)14-10-11-16(18-13-14)15-9-7-8-12-17-15;;;/h3*7-13H,4-6H2,1-3H3;2*1H;/q;;;;;+2/p-2
InChIKeyMCMFCOYRCPZXTJ-UHFFFAOYSA-L
XLogP8.57
TPSA160.41 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001127.32
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane)?
The IUPAC name of dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane) (CID 173130533) is dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane).
What is the SMILES notation for dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane)?
The canonical SMILES for dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane) is CCO[Si](OCC)(OCC)c1ccc(-c2ccccn2)nc1.CCO[Si](OCC)(OCC)c1ccc(-c2ccccn2)nc1.CCO[Si](OCC)(OCC)c1ccc(-c2ccccn2)nc1.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane)?
The InChIKey is MCMFCOYRCPZXTJ-UHFFFAOYSA-L. The full InChI is InChI=1S/3C16H22N2O3Si.2ClH.Ru/c3*1-4-19-22(20-5-2,21-6-3)14-10-11-16(18-13-14)15-9-7-8-12-17-15;;;/h3*7-13H,4-6H2,1-3H3;2*1H;/q;;;;;+2/p-2.
What are the key properties of dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane)?
dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane) has a molecular weight of 1127.32 g/mol, XLogP of 8.57, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tris(triethoxy-(6-pyridin-2-yl-3-pyridinyl)silane) is sourced from PubChem (CID 173130533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).