octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate

C124H100F48N24P8Ru4 — CID 139150861

IUPACoctakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate
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.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].[Ru+2].[Ru+2].c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C22H18N4.8C10H8N2.8F6P.4Ru/c2*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;8*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8*1-7(2,3,4,5)6;;;;/h2*1-12,15-16H,13-14H2;8*1-8H;;;;;;;;;;;;/q;;;;;;;;;;8*-1;4*+2
InChIKeyWAZKMEXQRSRAFO-UHFFFAOYSA-N
MW3490.31 g/mol
LogP52.97
Rot. Bonds18

About octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate

octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate (PubChem CID 139150861) has the molecular formula C124H100F48N24P8Ru4 and a molecular weight of 3490.31 g/mol. Its IUPAC name is octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate.

Molecular Properties

Compound Nameoctakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate
PubChem CID139150861
Molecular FormulaC124H100F48N24P8Ru4
Molecular Weight3490.31 g/mol
Exact Mass3492.19
IUPAC Nameoctakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate
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.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].[Ru+2].[Ru+2].c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C22H18N4.8C10H8N2.8F6P.4Ru/c2*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;8*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8*1-7(2,3,4,5)6;;;;/h2*1-12,15-16H,13-14H2;8*1-8H;;;;;;;;;;;;/q;;;;;;;;;;8*-1;4*+2
InChIKeyWAZKMEXQRSRAFO-UHFFFAOYSA-N
XLogP52.97
TPSA309.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003490.31
LogP ≤ 552.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate with MolForge

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Related Compounds

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CID 71311090
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892

Frequently Asked Questions

What is the IUPAC name of octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate?
The IUPAC name of octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate (CID 139150861) is octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate.
What is the SMILES notation for octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate?
The canonical SMILES for octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate 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.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].[Ru+2].[Ru+2].c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate?
The InChIKey is WAZKMEXQRSRAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18N4.8C10H8N2.8F6P.4Ru/c2*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;8*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8*1-7(2,3,4,5)6;;;;/h2*1-12,15-16H,13-14H2;8*1-8H;;;;;;;;;;;;/q;;;;;;;;;;8*-1;4*+2.
What are the key properties of octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate?
octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate has a molecular weight of 3490.31 g/mol, XLogP of 52.97, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetrakis(ruthenium(2+));octahexafluorophosphate is sourced from PubChem (CID 139150861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).