1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine

C34H27Cl2N3 — CID 162451109

About 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine

1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine (PubChem CID 162451109) has the molecular formula C34H27Cl2N3 and a molecular weight of 548.52 g/mol. Its IUPAC name is 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine.

Molecular Properties

• Compound Name: 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
• PubChem CID: 162451109
• Molecular Formula: C34H27Cl2N3
• Molecular Weight: 548.52 g/mol
• Exact Mass: 547.16
• IUPAC Name: 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
• SMILES: Cc1cc(C)c(/N=C(\c2ccccc2)c2cccc(/C(=N/c3c(C)cccc3Cl)c3ccccc3)n2)c(Cl)c1
• InChI: InChI=1S/C34H27Cl2N3/c1-22-20-24(3)32(28(36)21-22)39-34(26-15-8-5-9-16-26)30-19-11-18-29(37-30)33(25-13-6-4-7-14-25)38-31-23(2)12-10-17-27(31)35/h4-21H,1-3H3/b38-33+,39-34+
• InChIKey: NZUVXAMBTFDUMV-OEJNYSBOSA-N
• XLogP: 9.65
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.52
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine?

The IUPAC name of 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine (CID 162451109) is 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine.

What is the SMILES notation for 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine?

The canonical SMILES for 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine is Cc1cc(C)c(/N=C(\c2ccccc2)c2cccc(/C(=N/c3c(C)cccc3Cl)c3ccccc3)n2)c(Cl)c1.

What is the InChIKey of 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine?

The InChIKey is NZUVXAMBTFDUMV-OEJNYSBOSA-N. The full InChI is InChI=1S/C34H27Cl2N3/c1-22-20-24(3)32(28(36)21-22)39-34(26-15-8-5-9-16-26)30-19-11-18-29(37-30)33(25-13-6-4-7-14-25)38-31-23(2)12-10-17-27(31)35/h4-21H,1-3H3/b38-33+,39-34+.

What are the key properties of 1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine?

1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine has a molecular weight of 548.52 g/mol, XLogP of 9.65, 6 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-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 162451109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).