Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)

C₅₇H₄₁N₂O₆Yb — CID 139039575

About Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)

Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+) (PubChem CID 139039575) has the molecular formula C₅₇H₄₁N₂O₆Yb and a molecular weight of 1023.00 g/mol. Its IUPAC name is tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+).

Molecular Properties

• Compound Name: Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)
• PubChem CID: 139039575
• Molecular Formula: C₅₇H₄₁N₂O₆Yb
• Molecular Weight: 1023.00 g/mol
• Exact Mass: 1023.24
• IUPAC Name: tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)
• SMILES: O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Yb+3].c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/3C15H12O2.C12H8N2.Yb/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-11,16H;1-8H;/q;;;;+3/p-3/b3*14-11-
• InChIKey: GSUCEKWKCZRESL-PGQFVXAISA-K
• XLogP: 9.60
• TPSA: 146.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.00
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)?

The IUPAC name of Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+) (CID 139039575) is tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+).

What is the SMILES notation for Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)?

The canonical SMILES for Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+) is O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Yb+3].c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)?

The InChIKey is GSUCEKWKCZRESL-PGQFVXAISA-K. The full InChI is InChI=1S/3C15H12O2.C12H8N2.Yb/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-11,16H;1-8H;/q;;;;+3/p-3/b3*14-11-;;.

What are the key properties of Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)?

Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+) has a molecular weight of 1023.00 g/mol, XLogP of 9.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+) is sourced from PubChem (CID 139039575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139039575 — identifiers, structure, computed properties (public domain)

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