2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate

C36H28F12N6P2Ru- — CID 11355044

IUPAC2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate
SMILESCc1cccc(-c2cccc(C)n2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C12H12N2.2F6P.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;2*1-7(2,3,4,5)6;/h2*1-8H;3-8H,1-2H3;;;/q;;;2*-1;+1
InChIKeyREALKTXNLGYGNT-UHFFFAOYSA-N
MW935.66 g/mol
LogP15.09
Rot. Bonds1

About 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate

2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate (PubChem CID 11355044) has the molecular formula C36H28F12N6P2Ru- and a molecular weight of 935.66 g/mol. Its IUPAC name is 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate.

Molecular Properties

Compound Name2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate
PubChem CID11355044
Molecular FormulaC36H28F12N6P2Ru-
Molecular Weight935.66 g/mol
Exact Mass936.07
IUPAC Name2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate
SMILESCc1cccc(-c2cccc(C)n2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C12H12N2.2F6P.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;2*1-7(2,3,4,5)6;/h2*1-8H;3-8H,1-2H3;;;/q;;;2*-1;+1
InChIKeyREALKTXNLGYGNT-UHFFFAOYSA-N
XLogP15.09
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.66
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
CID 175753824
bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate
CID 139126602
1,10-phenanthroline;samarium
CID 174616745
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
2-methyl-5-(6-methyl-2-pyridinyl)-4-quinolin-8-yl-1,3-oxazole
CID 68886380
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
dichloroiron;2-methyl-1,10-phenanthroline
CID 175695507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate?
The IUPAC name of 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate (CID 11355044) is 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate.
What is the SMILES notation for 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate?
The canonical SMILES for 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate is Cc1cccc(-c2cccc(C)n2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate?
The InChIKey is REALKTXNLGYGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.C12H12N2.2F6P.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;2*1-7(2,3,4,5)6;/h2*1-8H;3-8H,1-2H3;;;/q;;;2*-1;+1.
What are the key properties of 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate?
2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate has a molecular weight of 935.66 g/mol, XLogP of 15.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate is sourced from PubChem (CID 11355044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).