(E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate

C70H48F24N10O2P4Ru2 — CID 11980899

About (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate

(E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate (PubChem CID 11980899) has the molecular formula C70H48F24N10O2P4Ru2 and a molecular weight of 1843.21 g/mol. Its IUPAC name is (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate.

Molecular Properties

• Compound Name: (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate
• PubChem CID: 11980899
• Molecular Formula: C70H48F24N10O2P4Ru2
• Molecular Weight: 1843.21 g/mol
• Exact Mass: 1844.06
• IUPAC Name: (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate
• SMILES: 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.O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccn2)cc1)c1ccccn1.[Ru+2].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C22H16N2O2.4C12H8N2.4F6P.2Ru/c25-21(19-5-1-3-15-23-19)13-11-17-7-9-18(10-8-17)12-14-22(26)20-6-2-4-16-24-20;4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-7(2,3,4,5)6;;/h1-16H;4*1-8H;;;;;;/q;;;;;4*-1;2*+2/b13-11+,14-12+
• InChIKey: GMUYPPUMCBUONQ-BKRUCPCFSA-N
• XLogP: 28.93
• TPSA: 163.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.21
LogP ≤ 5	28.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?

The IUPAC name of (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate (CID 11980899) is (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate.

What is the SMILES notation for (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?

The canonical SMILES for (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate 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.O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccn2)cc1)c1ccccn1.[Ru+2].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?

The InChIKey is GMUYPPUMCBUONQ-BKRUCPCFSA-N. The full InChI is InChI=1S/C22H16N2O2.4C12H8N2.4F6P.2Ru/c25-21(19-5-1-3-15-23-19)13-11-17-7-9-18(10-8-17)12-14-22(26)20-6-2-4-16-24-20;4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-7(2,3,4,5)6;;/h1-16H;4*1-8H;;;;;;/q;;;;;4*-1;2*+2/b13-11+,14-12+;;;;;;;;;;.

What are the key properties of (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?

(E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate has a molecular weight of 1843.21 g/mol, XLogP of 28.93, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[4-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]phenyl]-1-pyridin-2-ylprop-2-en-1-one;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate is sourced from PubChem (CID 11980899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).