copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)

C28H22Cl4CuN4O6+4 — CID 50910310

About copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)

copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium) (PubChem CID 50910310) has the molecular formula C28H22Cl4CuN4O6+4 and a molecular weight of 715.86 g/mol. Its IUPAC name is copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium).

Molecular Properties

• Compound Name: copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)
• PubChem CID: 50910310
• Molecular Formula: C28H22Cl4CuN4O6+4
• Molecular Weight: 715.86 g/mol
• Exact Mass: 712.96
• IUPAC Name: copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)
• SMILES: O=C(NN=Cc1cc(Cl)cc(Cl)c1[OH2+])c1ccccc1O.O=C(NN=Cc1cc(Cl)cc(Cl)c1[OH2+])c1ccccc1O.[Cu+2]
• InChI: InChI=1S/2C14H10Cl2N2O3.Cu/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p+2
• InChIKey: YVROQYVQEJQOGT-UHFFFAOYSA-P
• XLogP: 5.80
• TPSA: 169.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)?

The IUPAC name of copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium) (CID 50910310) is copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium).

What is the SMILES notation for copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)?

The canonical SMILES for copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium) is O=C(NN=Cc1cc(Cl)cc(Cl)c1[OH2+])c1ccccc1O.O=C(NN=Cc1cc(Cl)cc(Cl)c1[OH2+])c1ccccc1O.[Cu+2].

What is the InChIKey of copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)?

The InChIKey is YVROQYVQEJQOGT-UHFFFAOYSA-P. The full InChI is InChI=1S/2C14H10Cl2N2O3.Cu/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p+2.

What are the key properties of copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)?

copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium) has a molecular weight of 715.86 g/mol, XLogP of 5.80, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium) is sourced from PubChem (CID 50910310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).