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

C72H48F24N12P4Ru2 — CID 139054908

IUPAChexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/6C12H8N2.4F6P.2Ru/c6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-7(2,3,4,5)6;;/h6*1-8H;;;;;;/q;;;;;;4*-1;2*+2
InChIKeyZJAVKEWZAVXOPN-UHFFFAOYSA-N
MW1863.25 g/mol
LogP30.22
Rot. Bonds

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

hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate (PubChem CID 139054908) has the molecular formula C72H48F24N12P4Ru2 and a molecular weight of 1863.25 g/mol. Its IUPAC name is hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate.

Molecular Properties

Compound Namehexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate
PubChem CID139054908
Molecular FormulaC72H48F24N12P4Ru2
Molecular Weight1863.25 g/mol
Exact Mass1864.08
IUPAC Namehexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/6C12H8N2.4F6P.2Ru/c6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-7(2,3,4,5)6;;/h6*1-8H;;;;;;/q;;;;;;4*-1;2*+2
InChIKeyZJAVKEWZAVXOPN-UHFFFAOYSA-N
XLogP30.22
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.25
LogP ≤ 530.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

Tris(1,10-phenanthroline)ruthenium(II) Bis(hexafluorophosphate)
CID 15198714
Tris(1,10-phenanthroline)cobalt(II) Bis(hexafluorophosphate)
CID 132274934
Delta-[ru(Bpy)2dppz]2+
CID 57336495
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium (II)
CID 11979786
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 1,10-phenanthroline; pyrazine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980901
Ru(II)(phen)2(phen-cyclen-2H+)
CID 16683884
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
Ru(II)(phen)2(phen-cyclam-2H+)
CID 16683894

Frequently Asked Questions

What is the IUPAC name of hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?
The IUPAC name of hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate (CID 139054908) is hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate.
What is the SMILES notation for hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?
The canonical SMILES for hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?
The InChIKey is ZJAVKEWZAVXOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H8N2.4F6P.2Ru/c6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-7(2,3,4,5)6;;/h6*1-8H;;;;;;/q;;;;;;4*-1;2*+2.
What are the key properties of hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?
hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate has a molecular weight of 1863.25 g/mol, XLogP of 30.22, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate is sourced from PubChem (CID 139054908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).