bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate

C32H30B2F8N8O4Ru — CID 139136726

IUPACbis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.F[B-](F)(F)F.F[B-](F)(F)F.[Ru+2].c1cnc(-c2ncccn2)nc1
InChIInChI=1S/2C12H12N2O2.C8H6N4.2BF4.Ru/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3-9-7(10-4-1)8-11-5-2-6-12-8;2*2-1(3,4)5;/h2*3-8H,1-2H3;1-6H;;;/q;;;2*-1;+2
InChIKeyGQDXWQPCFOFPAW-UHFFFAOYSA-N
MW865.32 g/mol
LogP7.85
Rot. Bonds7

About bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate

bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate (PubChem CID 139136726) has the molecular formula C32H30B2F8N8O4Ru and a molecular weight of 865.32 g/mol. Its IUPAC name is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate.

Molecular Properties

Compound Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate
PubChem CID139136726
Molecular FormulaC32H30B2F8N8O4Ru
Molecular Weight865.32 g/mol
Exact Mass866.15
IUPAC Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.F[B-](F)(F)F.F[B-](F)(F)F.[Ru+2].c1cnc(-c2ncccn2)nc1
InChIInChI=1S/2C12H12N2O2.C8H6N4.2BF4.Ru/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3-9-7(10-4-1)8-11-5-2-6-12-8;2*2-1(3,4)5;/h2*3-8H,1-2H3;1-6H;;;/q;;;2*-1;+2
InChIKeyGQDXWQPCFOFPAW-UHFFFAOYSA-N
XLogP7.85
TPSA140.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.32
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate
CID 139158992
ZINC;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate
CID 139176301
Tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium
CID 9875907
Chloroosmium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methoxypyridine);1-methylimidazole
CID 57653376
Chloroosmium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);1-methylimidazole
CID 57909313
chloroosmium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;1-methylimidazole;N-methyl-2-[4-(methylamino)-2-pyridinyl]pyridin-4-amine
CID 57909315
Chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten
CID 58544424
chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten
CID 59575063
Chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 59575067
Cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 140694718
Cobalt(3+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 140694725
7,18-Dioxa-3,22,23,24,25,26-hexazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(22),2,4,6(26),8,10,12(25),13(24),14,16,19(23),20-dodecaene;platinum
CID 140764514

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate?
The IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate (CID 139136726) is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate.
What is the SMILES notation for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate?
The canonical SMILES for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate is COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.F[B-](F)(F)F.F[B-](F)(F)F.[Ru+2].c1cnc(-c2ncccn2)nc1.
What is the InChIKey of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate?
The InChIKey is GQDXWQPCFOFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2O2.C8H6N4.2BF4.Ru/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3-9-7(10-4-1)8-11-5-2-6-12-8;2*2-1(3,4)5;/h2*3-8H,1-2H3;1-6H;;;/q;;;2*-1;+2.
What are the key properties of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate?
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate has a molecular weight of 865.32 g/mol, XLogP of 7.85, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate is sourced from PubChem (CID 139136726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).