tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate

C36H36F12N6P2Ru — CID 15198704

IUPACtris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
InChIInChI=1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2
InChIKeyYTWDDICTMKIOIQ-UHFFFAOYSA-N
MW943.72 g/mol
LogP15.04
Rot. Bonds3

About tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate

tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 15198704) has the molecular formula C36H36F12N6P2Ru and a molecular weight of 943.72 g/mol. Its IUPAC name is tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Nametris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate
PubChem CID15198704
Molecular FormulaC36H36F12N6P2Ru
Molecular Weight943.72 g/mol
Exact Mass944.13
IUPAC Nametris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
InChIInChI=1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2
InChIKeyYTWDDICTMKIOIQ-UHFFFAOYSA-N
XLogP15.04
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.72
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate (CID 15198704) is tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].
What is the InChIKey of tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is YTWDDICTMKIOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2.
What are the key properties of tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 943.72 g/mol, XLogP of 15.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 15198704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).