Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)

C₄₀H₂₈CuN₂O₆ — CID 139066053

About Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)

Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine) (PubChem CID 139066053) has the molecular formula C₄₀H₂₈CuN₂O₆ and a molecular weight of 696.22 g/mol. Its IUPAC name is copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine).

Molecular Properties

• Compound Name: Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)
• PubChem CID: 139066053
• Molecular Formula: C₄₀H₂₈CuN₂O₆
• Molecular Weight: 696.22 g/mol
• Exact Mass: 695.12
• IUPAC Name: copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)
• SMILES: O=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cu+2].c1ccncc1.c1ccncc1
• InChI: InChI=1S/2C15H10O3.2C5H5N.Cu/c2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;2*1-2-4-6-5-3-1;/h2*1-9,17H;2*1-5H;/q;;;;+2/p-2
• InChIKey: BCEPFIGRPJLTKO-UHFFFAOYSA-L
• XLogP: 7.23
• TPSA: 132.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.22
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)?

The IUPAC name of Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine) (CID 139066053) is copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine).

What is the SMILES notation for Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)?

The canonical SMILES for Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine) is O=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cu+2].c1ccncc1.c1ccncc1.

What is the InChIKey of Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)?

The InChIKey is BCEPFIGRPJLTKO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H10O3.2C5H5N.Cu/c2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;2*1-2-4-6-5-3-1;/h2*1-9,17H;2*1-5H;/q;;;;+2/p-2.

What are the key properties of Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)?

Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine) has a molecular weight of 696.22 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine) is sourced from PubChem (CID 139066053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139066053 — identifiers, structure, computed properties (public domain)

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