bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium

C34H26N6O2Ru — CID 59386387

IUPACbis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium
SMILESCC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Ru]
InChIInChI=1S/2C17H13N3O.Ru/c2*1-12(21)13-10-16(14-6-2-4-8-18-14)20-17(11-13)15-7-3-5-9-19-15;/h2*2-11H,1H3;
InChIKeyOYGCLEWSJSMYFM-UHFFFAOYSA-N
MW651.69 g/mol
LogP6.81
Rot. Bonds6

About bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium

bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium (PubChem CID 59386387) has the molecular formula C34H26N6O2Ru and a molecular weight of 651.69 g/mol. Its IUPAC name is bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium.

Molecular Properties

Compound Namebis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium
PubChem CID59386387
Molecular FormulaC34H26N6O2Ru
Molecular Weight651.69 g/mol
Exact Mass652.12
IUPAC Namebis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium
SMILESCC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Ru]
InChIInChI=1S/2C17H13N3O.Ru/c2*1-12(21)13-10-16(14-6-2-4-8-18-14)20-17(11-13)15-7-3-5-9-19-15;/h2*2-11H,1H3;
InChIKeyOYGCLEWSJSMYFM-UHFFFAOYSA-N
XLogP6.81
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.69
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium?
The IUPAC name of bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium (CID 59386387) is bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium.
What is the SMILES notation for bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium?
The canonical SMILES for bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium is CC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Ru].
What is the InChIKey of bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium?
The InChIKey is OYGCLEWSJSMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13N3O.Ru/c2*1-12(21)13-10-16(14-6-2-4-8-18-14)20-17(11-13)15-7-3-5-9-19-15;/h2*2-11H,1H3;.
What are the key properties of bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium?
bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium has a molecular weight of 651.69 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2,6-dipyridin-2-yl-4-pyridinyl)ethanone);ruthenium is sourced from PubChem (CID 59386387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).