4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)

C32H54N2NiO2Si2 — CID 59075453

About 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)

4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+) (PubChem CID 59075453) has the molecular formula C32H54N2NiO2Si2 and a molecular weight of 613.66 g/mol. Its IUPAC name is 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+).

Molecular Properties

• Compound Name: 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)
• PubChem CID: 59075453
• Molecular Formula: C32H54N2NiO2Si2
• Molecular Weight: 613.66 g/mol
• Exact Mass: 612.31
• IUPAC Name: 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)
• SMILES: Cc1cccc(C)c1/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cccc1C.[CH3-].[CH3-].[Ni+2]
• InChI: InChI=1S/C30H48N2O2Si2.2CH3.Ni/c1-23-15-11-16-24(2)29(23)31-27(19-13-21-33-35(5,6)7)28(20-14-22-34-36(8,9)10)32-30-25(3)17-12-18-26(30)4;;;/h11-12,15-18H,13-14,19-22H2,1-10H3;2*1H3;/q;2*-1;+2/b31-27+,32-28+
• InChIKey: DASTZSCGRPNRBQ-RDHYOIAFSA-N
• XLogP: 9.93
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.66
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)?

The IUPAC name of 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+) (CID 59075453) is 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+).

What is the SMILES notation for 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)?

The canonical SMILES for 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+) is Cc1cccc(C)c1/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cccc1C.[CH3-].[CH3-].[Ni+2].

What is the InChIKey of 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)?

The InChIKey is DASTZSCGRPNRBQ-RDHYOIAFSA-N. The full InChI is InChI=1S/C30H48N2O2Si2.2CH3.Ni/c1-23-15-11-16-24(2)29(23)31-27(19-13-21-33-35(5,6)7)28(20-14-22-34-36(8,9)10)32-30-25(3)17-12-18-26(30)4;;;/h11-12,15-18H,13-14,19-22H2,1-10H3;2*1H3;/q;2*-1;+2/b31-27+,32-28+;;;.

What are the key properties of 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)?

4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+) has a molecular weight of 613.66 g/mol, XLogP of 9.93, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+) is sourced from PubChem (CID 59075453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).