dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide)

C68H106N6O2Si4Zn2 — CID 139175742

About dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide)

dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide) (PubChem CID 139175742) has the molecular formula C68H106N6O2Si4Zn2 and a molecular weight of 1282.76 g/mol. Its IUPAC name is dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide).

Molecular Properties

• Compound Name: dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide)
• PubChem CID: 139175742
• Molecular Formula: C68H106N6O2Si4Zn2
• Molecular Weight: 1282.76 g/mol
• Exact Mass: 1278.60
• IUPAC Name: dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide)
• SMILES: CC(C)(C)c1cc(CN(Cc2ccccc2)Cc2ccccn2)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(CN(Cc2ccccc2)Cc2ccccn2)c([O-])c(C(C)(C)C)c1.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Zn+2].[Zn+2]
• InChI: InChI=1S/2C28H36N2O.2C6H18NSi2.2Zn/c2*1-27(2,3)23-16-22(26(31)25(17-23)28(4,5)6)19-30(18-21-12-8-7-9-13-21)20-24-14-10-11-15-29-24;2*1-8(2,3)7-9(4,5)6;;/h2*7-17,31H,18-20H2,1-6H3;2*1-6H3;;/q;;2*-1;2*+2/p-2
• InChIKey: SIWANKCLFOQQJW-UHFFFAOYSA-L
• XLogP: 17.96
• TPSA: 106.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1282.76
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide)?

The IUPAC name of dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide) (CID 139175742) is dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide).

What is the SMILES notation for dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide)?

The canonical SMILES for dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide) is CC(C)(C)c1cc(CN(Cc2ccccc2)Cc2ccccn2)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(CN(Cc2ccccc2)Cc2ccccn2)c([O-])c(C(C)(C)C)c1.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Zn+2].[Zn+2].

What is the InChIKey of dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide)?

The InChIKey is SIWANKCLFOQQJW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H36N2O.2C6H18NSi2.2Zn/c2*1-27(2,3)23-16-22(26(31)25(17-23)28(4,5)6)19-30(18-21-12-8-7-9-13-21)20-24-14-10-11-15-29-24;2*1-8(2,3)7-9(4,5)6;;/h2*7-17,31H,18-20H2,1-6H3;2*1-6H3;;/q;;2*-1;2*+2/p-2.

What are the key properties of dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide)?

dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide) has a molecular weight of 1282.76 g/mol, XLogP of 17.96, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide) is sourced from PubChem (CID 139175742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).