bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate

C38H34Cd2Cl2N12O10 — CID 139041928

About bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate

bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate (PubChem CID 139041928) has the molecular formula C38H34Cd2Cl2N12O10 and a molecular weight of 1114.49 g/mol. Its IUPAC name is bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate.

Molecular Properties

• Compound Name: bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate
• PubChem CID: 139041928
• Molecular Formula: C38H34Cd2Cl2N12O10
• Molecular Weight: 1114.49 g/mol
• Exact Mass: 1116.00
• IUPAC Name: bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate
• SMILES: Cc1cc(/C=N/Nc2ccccn2)c([O-])c(/C=N/Nc2ccccn2)c1.Cc1cc(/C=N\Nc2ccccn2)c([O-])c(/C=N/Nc2ccccn2)c1.[Cd+2].[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/2C19H18N6O.2Cd.2ClHO4/c2*1-14-10-15(12-22-24-17-6-2-4-8-20-17)19(26)16(11-14)13-23-25-18-7-3-5-9-21-18;;;2*2-1(3,4)5/h2*2-13,26H,1H3,(H,20,24)(H,21,25);;;2*(H,2,3,4,5)/q;;2*+2;;/p-4/b22-12+,23-13+;22-12-,23-13+
• InChIKey: ZCDZTNWUTUMZRV-URLYQYRRSA-J
• XLogP: -4.02
• TPSA: 379.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1114.49
LogP ≤ 5	-4.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'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 bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate?

The IUPAC name of bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate (CID 139041928) is bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate.

What is the SMILES notation for bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate?

The canonical SMILES for bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate is Cc1cc(/C=N/Nc2ccccn2)c([O-])c(/C=N/Nc2ccccn2)c1.Cc1cc(/C=N\Nc2ccccn2)c([O-])c(/C=N/Nc2ccccn2)c1.[Cd+2].[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate?

The InChIKey is ZCDZTNWUTUMZRV-URLYQYRRSA-J. The full InChI is InChI=1S/2C19H18N6O.2Cd.2ClHO4/c2*1-14-10-15(12-22-24-17-6-2-4-8-20-17)19(26)16(11-14)13-23-25-18-7-3-5-9-21-18;;;2*2-1(3,4)5/h2*2-13,26H,1H3,(H,20,24)(H,21,25);;;2*(H,2,3,4,5)/q;;2*+2;;/p-4/b22-12+,23-13+;22-12-,23-13+;;;;.

What are the key properties of bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate?

bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate has a molecular weight of 1114.49 g/mol, XLogP of -4.02, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cadmium(2+));bis(4-methyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate is sourced from PubChem (CID 139041928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).