1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C32H22N6O2Ru+2 — CID 15772851

IUPAC1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESO=C1C(=O)c2cccnc2-c2ncccc21.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H6N2O2.2C10H8N2.Ru/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6H;2*1-8H;/q;;;+2
InChIKeySKVYXDDMDRFCME-UHFFFAOYSA-N
MW623.64 g/mol
LogP5.81
Rot. Bonds2

About 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 15772851) has the molecular formula C32H22N6O2Ru+2 and a molecular weight of 623.64 g/mol. Its IUPAC name is 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

Compound Name1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
PubChem CID15772851
Molecular FormulaC32H22N6O2Ru+2
Molecular Weight623.64 g/mol
Exact Mass624.08
IUPAC Name1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESO=C1C(=O)c2cccnc2-c2ncccc21.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H6N2O2.2C10H8N2.Ru/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6H;2*1-8H;/q;;;+2
InChIKeySKVYXDDMDRFCME-UHFFFAOYSA-N
XLogP5.81
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.64
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The IUPAC name of 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 15772851) is 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+).
What is the SMILES notation for 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The canonical SMILES for 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is O=C1C(=O)c2cccnc2-c2ncccc21.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The InChIKey is SKVYXDDMDRFCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O2.2C10H8N2.Ru/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6H;2*1-8H;/q;;;+2.
What are the key properties of 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 623.64 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 15772851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).