4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone

C36H25EuF3N2O2 — CID 20606787

About 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone

4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone (PubChem CID 20606787) has the molecular formula C36H25EuF3N2O2 and a molecular weight of 726.57 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone.

Molecular Properties

• Compound Name: 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
• PubChem CID: 20606787
• Molecular Formula: C36H25EuF3N2O2
• Molecular Weight: 726.57 g/mol
• Exact Mass: 727.11
• IUPAC Name: 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
• SMILES: O=C(C1=C(O)c2ccccc2CC1)C(F)(F)F.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/C24H16N2.C12H9F3O2.Eu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;13-12(14,15)11(17)9-6-5-7-3-1-2-4-8(7)10(9)16;/h1-16H;1-4,16H,5-6H2
• InChIKey: MLUBYUNGYUTULQ-UHFFFAOYSA-N
• XLogP: 9.15
• TPSA: 63.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.57
LogP ≤ 5	9.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone?

The IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone (CID 20606787) is 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone.

What is the SMILES notation for 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone?

The canonical SMILES for 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone is O=C(C1=C(O)c2ccccc2CC1)C(F)(F)F.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone?

The InChIKey is MLUBYUNGYUTULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.C12H9F3O2.Eu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;13-12(14,15)11(17)9-6-5-7-3-1-2-4-8(7)10(9)16;/h1-16H;1-4,16H,5-6H2;.

What are the key properties of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone?

4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone has a molecular weight of 726.57 g/mol, XLogP of 9.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 20606787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).