tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate

C40H38F24N8O3P4Ru2 — CID 138376466

IUPACtetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate
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.O.O.O.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C10H8N2.4F6P.3H2O.2Ru/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-7(2,3,4,5)6;;;;;/h4*1-8H;;;;;3*1H2;;/q;;;;4*-1;;;;2*+2
InChIKeyPMQQPLDUFKQTAG-UHFFFAOYSA-N
MW1460.79 g/mol
LogP19.62
Rot. Bonds4

About tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate

tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate (PubChem CID 138376466) has the molecular formula C40H38F24N8O3P4Ru2 and a molecular weight of 1460.79 g/mol. Its IUPAC name is tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate.

Molecular Properties

Compound Nametetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate
PubChem CID138376466
Molecular FormulaC40H38F24N8O3P4Ru2
Molecular Weight1460.79 g/mol
Exact Mass1461.97
IUPAC Nametetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate
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.O.O.O.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C10H8N2.4F6P.3H2O.2Ru/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-7(2,3,4,5)6;;;;;/h4*1-8H;;;;;3*1H2;;/q;;;;4*-1;;;;2*+2
InChIKeyPMQQPLDUFKQTAG-UHFFFAOYSA-N
XLogP19.62
TPSA197.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001460.79
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate?
The IUPAC name of tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate (CID 138376466) is tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate.
What is the SMILES notation for tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate?
The canonical SMILES for tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate 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.O.O.O.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate?
The InChIKey is PMQQPLDUFKQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N2.4F6P.3H2O.2Ru/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-7(2,3,4,5)6;;;;;/h4*1-8H;;;;;3*1H2;;/q;;;;4*-1;;;;2*+2.
What are the key properties of tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate?
tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate has a molecular weight of 1460.79 g/mol, XLogP of 19.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate;trihydrate is sourced from PubChem (CID 138376466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).