1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)

C44H54ClFeN3Si2 — CID 162451118

About 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)

1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) (PubChem CID 162451118) has the molecular formula C44H54ClFeN3Si2 and a molecular weight of 772.41 g/mol. Its IUPAC name is 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane).

Molecular Properties

• Compound Name: 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
• PubChem CID: 162451118
• Molecular Formula: C44H54ClFeN3Si2
• Molecular Weight: 772.41 g/mol
• Exact Mass: 771.29
• IUPAC Name: 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
• SMILES: Cc1cccc(Cl)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(C)cccc2C(C)C)c2ccccc2)n1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+2]
• InChI: InChI=1S/C36H32ClN3.2C4H11Si.Fe/c1-24(2)29-20-11-14-25(3)33(29)39-35(27-16-7-5-8-17-27)31-22-13-23-32(38-31)36(28-18-9-6-10-19-28)40-34-26(4)15-12-21-30(34)37;2*1-5(2,3)4;/h5-24H,1-4H3;2*1H2,2-4H3;/q;2*-1;+2/b39-35+,40-36+
• InChIKey: GUGQMRZKDCWXAJ-SJSSMWDUSA-N
• XLogP: 13.21
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.41
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?

The IUPAC name of 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) (CID 162451118) is 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane).

What is the SMILES notation for 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?

The canonical SMILES for 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) is Cc1cccc(Cl)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(C)cccc2C(C)C)c2ccccc2)n1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+2].

What is the InChIKey of 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?

The InChIKey is GUGQMRZKDCWXAJ-SJSSMWDUSA-N. The full InChI is InChI=1S/C36H32ClN3.2C4H11Si.Fe/c1-24(2)29-20-11-14-25(3)33(29)39-35(27-16-7-5-8-17-27)31-22-13-23-32(38-31)36(28-18-9-6-10-19-28)40-34-26(4)15-12-21-30(34)37;2*1-5(2,3)4;/h5-24H,1-4H3;2*1H2,2-4H3;/q;2*-1;+2/b39-35+,40-36+;;;.

What are the key properties of 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?

1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) has a molecular weight of 772.41 g/mol, XLogP of 13.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) is sourced from PubChem (CID 162451118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).