dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate

C68H64Cl2Cu2N6O14 — CID 139132299

About dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate

dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate (PubChem CID 139132299) has the molecular formula C68H64Cl2Cu2N6O14 and a molecular weight of 1387.29 g/mol. Its IUPAC name is dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate.

Molecular Properties

• Compound Name: dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate
• PubChem CID: 139132299
• Molecular Formula: C68H64Cl2Cu2N6O14
• Molecular Weight: 1387.29 g/mol
• Exact Mass: 1384.24
• IUPAC Name: dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate
• SMILES: CC(C)=O.CC(C)=O.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc(O)cc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1.[O-]c1ccc(O)cc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1
• InChI: InChI=1S/2C31H27N3O2.2C3H6O.2ClHO4.2Cu/c2*35-27-17-18-31(36)28(19-27)30-16-8-14-26(33-30)22-34(20-23-9-3-1-4-10-23)21-25-13-7-15-29(32-25)24-11-5-2-6-12-24;2*1-3(2)4;2*2-1(3,4)5;;/h2*1-19,35-36H,20-22H2;2*1-2H3;2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
• InChIKey: OBLFEXCKHWTJOI-UHFFFAOYSA-J
• XLogP: 3.26
• TPSA: 363.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1387.29
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate?

The IUPAC name of dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate (CID 139132299) is dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate.

What is the SMILES notation for dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate?

The canonical SMILES for dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate is CC(C)=O.CC(C)=O.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc(O)cc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1.[O-]c1ccc(O)cc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1.

What is the InChIKey of dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate?

The InChIKey is OBLFEXCKHWTJOI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C31H27N3O2.2C3H6O.2ClHO4.2Cu/c2*35-27-17-18-31(36)28(19-27)30-16-8-14-26(33-30)22-34(20-23-9-3-1-4-10-23)21-25-13-7-15-29(32-25)24-11-5-2-6-12-24;2*1-3(2)4;2*2-1(3,4)5;;/h2*1-19,35-36H,20-22H2;2*1-2H3;2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4.

What are the key properties of dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate?

dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate has a molecular weight of 1387.29 g/mol, XLogP of 3.26, 16 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate is sourced from PubChem (CID 139132299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).