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

C24H16F12N4P2Ru — CID 175753824

IUPACbis(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
InChIInChI=1S/2C12H8N2.2F6P.Ru/c2*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;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyZOBWBDJHPRSDQN-UHFFFAOYSA-N
MW751.41 g/mol
LogP12.33
Rot. Bonds

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

bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate (PubChem CID 175753824) has the molecular formula C24H16F12N4P2Ru and a molecular weight of 751.41 g/mol. Its IUPAC name is bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Namebis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
PubChem CID175753824
Molecular FormulaC24H16F12N4P2Ru
Molecular Weight751.41 g/mol
Exact Mass751.97
IUPAC Namebis(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
InChIInChI=1S/2C12H8N2.2F6P.Ru/c2*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;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyZOBWBDJHPRSDQN-UHFFFAOYSA-N
XLogP12.33
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.41
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate (CID 175753824) is bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for bis(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.
What is the InChIKey of bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate?
The InChIKey is ZOBWBDJHPRSDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.2F6P.Ru/c2*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;/h2*1-8H;;;/q;;2*-1;+2.
What are the key properties of bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate?
bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate has a molecular weight of 751.41 g/mol, XLogP of 12.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 175753824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).