benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate)

C170H160Hf2N8O4Si4 — CID 139101967

About benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate)

benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate) (PubChem CID 139101967) has the molecular formula C170H160Hf2N8O4Si4 and a molecular weight of 2848.53 g/mol. Its IUPAC name is benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate).

Molecular Properties

• Compound Name: benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate)
• PubChem CID: 139101967
• Molecular Formula: C170H160Hf2N8O4Si4
• Molecular Weight: 2848.53 g/mol
• Exact Mass: 2849.06
• IUPAC Name: benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate)
• SMILES: CNC.CNC.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Hf+4].[Hf+4].[O-]c1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1cccc(-c2c([O-])c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc23)n1.[O-]c1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1cccc(-c2c([O-])c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc23)n1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/2C61H45NO2Si2.6C6H6.2C2H7N.4C2H6N.2Hf/c2*63-60-56(65(46-26-7-1-8-27-46,47-28-9-2-10-29-47)48-30-11-3-12-31-48)42-44-24-19-21-38-52(44)58(60)54-40-23-41-55(62-54)59-53-39-22-20-25-45(53)43-57(61(59)64)66(49-32-13-4-14-33-49,50-34-15-5-16-35-50)51-36-17-6-18-37-51;6*1-2-4-6-5-3-1;6*1-3-2;;/h2*1-43,63-64H;6*1-6H;2*3H,1-2H3;4*1-2H3;;/q;;;;;;;;;;4*-1;2*+4/p-4
• InChIKey: YRKMAIDKQOIEHP-UHFFFAOYSA-J
• XLogP: 27.51
• TPSA: 198.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2848.53
LogP ≤ 5	27.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate)?

The IUPAC name of benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate) (CID 139101967) is benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate).

What is the SMILES notation for benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate)?

The canonical SMILES for benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate) is CNC.CNC.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Hf+4].[Hf+4].[O-]c1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1cccc(-c2c([O-])c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc23)n1.[O-]c1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1cccc(-c2c([O-])c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc23)n1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate)?

The InChIKey is YRKMAIDKQOIEHP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C61H45NO2Si2.6C6H6.2C2H7N.4C2H6N.2Hf/c2*63-60-56(65(46-26-7-1-8-27-46,47-28-9-2-10-29-47)48-30-11-3-12-31-48)42-44-24-19-21-38-52(44)58(60)54-40-23-41-55(62-54)59-53-39-22-20-25-45(53)43-57(61(59)64)66(49-32-13-4-14-33-49,50-34-15-5-16-35-50)51-36-17-6-18-37-51;6*1-2-4-6-5-3-1;6*1-3-2;;/h2*1-43,63-64H;6*1-6H;2*3H,1-2H3;4*1-2H3;;/q;;;;;;;;;;4*-1;2*+4/p-4.

What are the key properties of benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate)?

benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate) has a molecular weight of 2848.53 g/mol, XLogP of 27.51, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;tetrakis(dimethylazanide);bis(hafnium(4+));bis(N-methylmethanamine);bis(1-[6-(2-oxido-3-triphenylsilylnaphthalen-1-yl)-2-pyridinyl]-3-triphenylsilylnaphthalen-2-olate) is sourced from PubChem (CID 139101967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).