Dicopper;bis(4-methylquinoline);tetrabenzoate

C₄₈H₃₈Cu₂N₂O₈ — CID 139063116

About Dicopper;bis(4-methylquinoline);tetrabenzoate

Dicopper;bis(4-methylquinoline);tetrabenzoate (PubChem CID 139063116) has the molecular formula C₄₈H₃₈Cu₂N₂O₈ and a molecular weight of 897.93 g/mol. Its IUPAC name is dicopper;bis(4-methylquinoline);tetrabenzoate.

Molecular Properties

• Compound Name: Dicopper;bis(4-methylquinoline);tetrabenzoate
• PubChem CID: 139063116
• Molecular Formula: C₄₈H₃₈Cu₂N₂O₈
• Molecular Weight: 897.93 g/mol
• Exact Mass: 896.12
• IUPAC Name: dicopper;bis(4-methylquinoline);tetrabenzoate
• SMILES: Cc1ccnc2ccccc12.Cc1ccnc2ccccc12.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Cu+2]
• InChI: InChI=1S/2C10H9N.4C7H6O2.2Cu/c2*1-8-6-7-11-10-5-3-2-4-9(8)10;4*8-7(9)6-4-2-1-3-5-6;;/h2*2-7H,1H3;4*1-5H,(H,8,9);;/q;;;;;;2*+2/p-4
• InChIKey: GCLMXDVSDALWSZ-UHFFFAOYSA-J
• XLogP: 5.28
• TPSA: 186.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.93
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of Dicopper;bis(4-methylquinoline);tetrabenzoate?

The IUPAC name of Dicopper;bis(4-methylquinoline);tetrabenzoate (CID 139063116) is dicopper;bis(4-methylquinoline);tetrabenzoate.

What is the SMILES notation for Dicopper;bis(4-methylquinoline);tetrabenzoate?

The canonical SMILES for Dicopper;bis(4-methylquinoline);tetrabenzoate is Cc1ccnc2ccccc12.Cc1ccnc2ccccc12.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Cu+2].

What is the InChIKey of Dicopper;bis(4-methylquinoline);tetrabenzoate?

The InChIKey is GCLMXDVSDALWSZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H9N.4C7H6O2.2Cu/c2*1-8-6-7-11-10-5-3-2-4-9(8)10;4*8-7(9)6-4-2-1-3-5-6;;/h2*2-7H,1H3;4*1-5H,(H,8,9);;/q;;;;;;2*+2/p-4.

What are the key properties of Dicopper;bis(4-methylquinoline);tetrabenzoate?

Dicopper;bis(4-methylquinoline);tetrabenzoate has a molecular weight of 897.93 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Dicopper;bis(4-methylquinoline);tetrabenzoate is sourced from PubChem (CID 139063116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139063116 — identifiers, structure, computed properties (public domain)

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