tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate

C36H18F12N6O6P2Ru — CID 15787893

IUPACtris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru+2]
InChIInChI=1S/3C12H6N2O2.2F6P.Ru/c3*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;2*1-7(2,3,4,5)6;/h3*1-6H;;;/q;;;2*-1;+2
InChIKeyLGAOGZFZNIEFHF-UHFFFAOYSA-N
MW1021.57 g/mol
LogP11.33
Rot. Bonds

About tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate

tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate (PubChem CID 15787893) has the molecular formula C36H18F12N6O6P2Ru and a molecular weight of 1021.57 g/mol. Its IUPAC name is tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Nametris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate
PubChem CID15787893
Molecular FormulaC36H18F12N6O6P2Ru
Molecular Weight1021.57 g/mol
Exact Mass1021.96
IUPAC Nametris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru+2]
InChIInChI=1S/3C12H6N2O2.2F6P.Ru/c3*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;2*1-7(2,3,4,5)6;/h3*1-6H;;;/q;;;2*-1;+2
InChIKeyLGAOGZFZNIEFHF-UHFFFAOYSA-N
XLogP11.33
TPSA179.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.57
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate (CID 15787893) is tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru+2].
What is the InChIKey of tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate?
The InChIKey is LGAOGZFZNIEFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H6N2O2.2F6P.Ru/c3*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;2*1-7(2,3,4,5)6;/h3*1-6H;;;/q;;;2*-1;+2.
What are the key properties of tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate?
tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1021.57 g/mol, XLogP of 11.33, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 15787893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).