1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride

C33H42Cl4N3V-3 — CID 173242905

About 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride

1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride (PubChem CID 173242905) has the molecular formula C33H42Cl4N3V-3 and a molecular weight of 673.48 g/mol. Its IUPAC name is 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride.

Molecular Properties

• Compound Name: 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride
• PubChem CID: 173242905
• Molecular Formula: C33H42Cl4N3V-3
• Molecular Weight: 673.48 g/mol
• Exact Mass: 671.16
• IUPAC Name: 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride
• SMILES: CCCc1cc(C)cc(CCC)c1/N=C/c1cc(Cl)cc(/C=N/c2c(CCC)cc(C)cc2CCC)n1.[Cl-].[Cl-].[Cl-].[V]
• InChI: InChI=1S/C33H42ClN3.3ClH.V/c1-7-11-25-15-23(5)16-26(12-8-2)32(25)35-21-30-19-29(34)20-31(37-30)22-36-33-27(13-9-3)17-24(6)18-28(33)14-10-4;;;;/h15-22H,7-14H2,1-6H3;3*1H;/p-3/b35-21+,36-22+
• InChIKey: QIFUPLNDWFIEBR-DTIOXJONSA-K
• XLogP: 0.67
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.48
LogP ≤ 5	0.67
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-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride?

The IUPAC name of 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride (CID 173242905) is 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride.

What is the SMILES notation for 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride?

The canonical SMILES for 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride is CCCc1cc(C)cc(CCC)c1/N=C/c1cc(Cl)cc(/C=N/c2c(CCC)cc(C)cc2CCC)n1.[Cl-].[Cl-].[Cl-].[V].

What is the InChIKey of 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride?

The InChIKey is QIFUPLNDWFIEBR-DTIOXJONSA-K. The full InChI is InChI=1S/C33H42ClN3.3ClH.V/c1-7-11-25-15-23(5)16-26(12-8-2)32(25)35-21-30-19-29(34)20-31(37-30)22-36-33-27(13-9-3)17-24(6)18-28(33)14-10-4;;;;/h15-22H,7-14H2,1-6H3;3*1H;/p-3/b35-21+,36-22+;;;;.

What are the key properties of 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride?

1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride has a molecular weight of 673.48 g/mol, XLogP of 0.67, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-6-[(4-methyl-2,6-dipropylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)methanimine;vanadium;trichloride is sourced from PubChem (CID 173242905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).