2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate

C38H26F12N6OP2RuS — CID 11434638

IUPAC2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccsc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H13N3O.C19H13N3S.2F6P.Ru/c1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16;1-3-8-20-16(5-1)18-11-15(14-7-10-23-13-14)12-19(22-18)17-6-2-4-9-21-17;2*1-7(2,3,4,5)6;/h2*1-13H;;;/q;;2*-1;+2
InChIKeyPVBSJPZQKTVENW-UHFFFAOYSA-N
MW1005.73 g/mol
LogP16.16
Rot. Bonds6

About 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate

2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate (PubChem CID 11434638) has the molecular formula C38H26F12N6OP2RuS and a molecular weight of 1005.73 g/mol. Its IUPAC name is 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Name2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
PubChem CID11434638
Molecular FormulaC38H26F12N6OP2RuS
Molecular Weight1005.73 g/mol
Exact Mass1006.02
IUPAC Name2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccsc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H13N3O.C19H13N3S.2F6P.Ru/c1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16;1-3-8-20-16(5-1)18-11-15(14-7-10-23-13-14)12-19(22-18)17-6-2-4-9-21-17;2*1-7(2,3,4,5)6;/h2*1-13H;;;/q;;2*-1;+2
InChIKeyPVBSJPZQKTVENW-UHFFFAOYSA-N
XLogP16.16
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.73
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine
CID 11434639
4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine
CID 101132495
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate
CID 46835866
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
2-[2-(furan-2-yl)phenyl]pyridine
CID 168525808

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
The IUPAC name of 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate (CID 11434638) is 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccsc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
The InChIKey is PVBSJPZQKTVENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O.C19H13N3S.2F6P.Ru/c1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16;1-3-8-20-16(5-1)18-11-15(14-7-10-23-13-14)12-19(22-18)17-6-2-4-9-21-17;2*1-7(2,3,4,5)6;/h2*1-13H;;;/q;;2*-1;+2.
What are the key properties of 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate has a molecular weight of 1005.73 g/mol, XLogP of 16.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-yl-4-thiophen-3-ylpyridine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 11434638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).