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

C36H24F12N6P2Ru — CID 15198714

IUPACtris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.2F6P.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyYRYUXGTVQZIGNQ-UHFFFAOYSA-N
MW931.62 g/mol
LogP15.11
Rot. Bonds

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

tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate (PubChem CID 15198714) has the molecular formula C36H24F12N6P2Ru and a molecular weight of 931.62 g/mol. Its IUPAC name is tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Nametris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
PubChem CID15198714
Molecular FormulaC36H24F12N6P2Ru
Molecular Weight931.62 g/mol
Exact Mass932.04
IUPAC Nametris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.2F6P.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyYRYUXGTVQZIGNQ-UHFFFAOYSA-N
XLogP15.11
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.62
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate (CID 15198714) is tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate?
The InChIKey is YRYUXGTVQZIGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8N2.2F6P.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2.
What are the key properties of tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate?
tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate has a molecular weight of 931.62 g/mol, XLogP of 15.11, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 15198714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).