bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

C58H46F24N14P4Ru2S2 — CID 139155733

IUPACbis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESCC#N.CC#N.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].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3sc(-c4ccccn4)nc3s2)nc1
InChIInChI=1S/C14H8N4S2.4C10H8N2.2C2H3N.4F6P.2Ru/c1-3-7-15-9(5-1)11-17-13-14(19-11)18-12(20-13)10-6-2-4-8-16-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;4*1-7(2,3,4,5)6;;/h1-8H;4*1-8H;2*1H3;;;;;;/q;;;;;;;4*-1;2*+2
InChIKeyMCOQXAZKNOSRPV-UHFFFAOYSA-N
MW1785.23 g/mol
LogP27.04
Rot. Bonds6

About bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (PubChem CID 139155733) has the molecular formula C58H46F24N14P4Ru2S2 and a molecular weight of 1785.23 g/mol. Its IUPAC name is bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
PubChem CID139155733
Molecular FormulaC58H46F24N14P4Ru2S2
Molecular Weight1785.23 g/mol
Exact Mass1786.01
IUPAC Namebis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESCC#N.CC#N.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].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3sc(-c4ccccn4)nc3s2)nc1
InChIInChI=1S/C14H8N4S2.4C10H8N2.2C2H3N.4F6P.2Ru/c1-3-7-15-9(5-1)11-17-13-14(19-11)18-12(20-13)10-6-2-4-8-16-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;4*1-7(2,3,4,5)6;;/h1-8H;4*1-8H;2*1H3;;;;;;/q;;;;;;;4*-1;2*+2
InChIKeyMCOQXAZKNOSRPV-UHFFFAOYSA-N
XLogP27.04
TPSA202.26 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001785.23
LogP ≤ 527.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The IUPAC name of bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (CID 139155733) is bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The canonical SMILES for bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is CC#N.CC#N.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].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3sc(-c4ccccn4)nc3s2)nc1.
What is the InChIKey of bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The InChIKey is MCOQXAZKNOSRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4S2.4C10H8N2.2C2H3N.4F6P.2Ru/c1-3-7-15-9(5-1)11-17-13-14(19-11)18-12(20-13)10-6-2-4-8-16-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;4*1-7(2,3,4,5)6;;/h1-8H;4*1-8H;2*1H3;;;;;;/q;;;;;;;4*-1;2*+2.
What are the key properties of bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate has a molecular weight of 1785.23 g/mol, XLogP of 27.04, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);2,5-dipyridin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is sourced from PubChem (CID 139155733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).