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'}

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Related Compounds

9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridinyl)-
CID 4595742
(E)-3-phenyl-1-(2-pyridyl)prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate
CID 6481872
1,10-phenanthroline; (E)-3-phenyl-1-(2-pyridyl)prop-2-en-1-one; ruthenium(2+); dihexafluorophosphate
CID 6481873
(E)-3-[4-[(E)-3-oxo-3-(2-pyridyl)prop-1-enyl]phenyl]-1-(2-pyridyl)prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); tetrahexafluorophosphate
CID 11980897
(E)-3-[4-[(E)-3-oxo-3-(2-pyridyl)prop-1-enyl]phenyl]-1-(2-pyridyl)prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); tetrahexafluorophosphate
CID 11980899
11-[5-(5,12-Dioxopyrido[2,3-b]acridin-11-yl)-3-pyridinyl]pyrido[2,3-b]acridine-5,12-dione
CID 393106
9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 4,5,6,7-tetrahydro-
CID 396466
5,6-Dioxo-1,10-phenanthrolin-1-ium trifluoromethanesulfonate
CID 139075079
tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1,10-phenanthroline-5,6-dione;toluene;yttrium(3+)
CID 139172879
CID 139162752
CID 139162752
4,7-Bis(4-fluorophenyl)-3,8-dimethyl-1,10-phenanthroline-5,6-dione
CID 58490134
3-(Trifluoromethyl)-1,10-phenanthroline-5,6-dione
CID 59748651

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).