(E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

C34H27F12N5OP2Ru — CID 6481872

IUPAC(E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(/C=C/c1ccccc1)c1ccccn1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H11NO.2C10H8N2.2F6P.Ru/c16-14(13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1-11H;2*1-8H;;;/q;;;2*-1;+2/b10-9+;;;;;
InChIKeyGFPTWNWWWRCMGE-DYBGSUCNSA-N
MW912.62 g/mol
LogP14.03
Rot. Bonds5

About (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

(E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 6481872) has the molecular formula C34H27F12N5OP2Ru and a molecular weight of 912.62 g/mol. Its IUPAC name is (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Name(E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
PubChem CID6481872
Molecular FormulaC34H27F12N5OP2Ru
Molecular Weight912.62 g/mol
Exact Mass913.05
IUPAC Name(E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(/C=C/c1ccccc1)c1ccccn1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H11NO.2C10H8N2.2F6P.Ru/c16-14(13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1-11H;2*1-8H;;;/q;;;2*-1;+2/b10-9+;;;;;
InChIKeyGFPTWNWWWRCMGE-DYBGSUCNSA-N
XLogP14.03
TPSA81.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.62
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 6481872) is (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(/C=C/c1ccccc1)c1ccccn1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is GFPTWNWWWRCMGE-DYBGSUCNSA-N. The full InChI is InChI=1S/C14H11NO.2C10H8N2.2F6P.Ru/c16-14(13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1-11H;2*1-8H;;;/q;;;2*-1;+2/b10-9+;;;;;.
What are the key properties of (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
(E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 912.62 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 6481872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).