N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride

C35H47Cl2N3V — CID 173244597

IUPACN-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride
SMILESCCCCc1cccc(CCCC)c1/N=C/c1cccc(/C=N/c2c(CCCC)cccc2CCCC)n1.[Cl-].[Cl-].[V+2]
InChIInChI=1S/C35H47N3.2ClH.V/c1-5-9-16-28-20-13-21-29(17-10-6-2)34(28)36-26-32-24-15-25-33(38-32)27-37-35-30(18-11-7-3)22-14-23-31(35)19-12-8-4;;;/h13-15,20-27H,5-12,16-19H2,1-4H3;2*1H;/q;;;+2/p-2/b36-26+,37-27+;;;
InChIKeyHSQGXPHPXNRDDR-YSGHYYTASA-L
MW631.63 g/mol
LogP3.96
Rot. Bonds16

About N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride

N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride (PubChem CID 173244597) has the molecular formula C35H47Cl2N3V and a molecular weight of 631.63 g/mol. Its IUPAC name is N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride.

Molecular Properties

Compound NameN-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride
PubChem CID173244597
Molecular FormulaC35H47Cl2N3V
Molecular Weight631.63 g/mol
Exact Mass630.26
IUPAC NameN-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride
SMILESCCCCc1cccc(CCCC)c1/N=C/c1cccc(/C=N/c2c(CCCC)cccc2CCCC)n1.[Cl-].[Cl-].[V+2]
InChIInChI=1S/C35H47N3.2ClH.V/c1-5-9-16-28-20-13-21-29(17-10-6-2)34(28)36-26-32-24-15-25-33(38-32)27-37-35-30(18-11-7-3)22-14-23-31(35)19-12-8-4;;;/h13-15,20-27H,5-12,16-19H2,1-4H3;2*1H;/q;;;+2/p-2/b36-26+,37-27+;;;
InChIKeyHSQGXPHPXNRDDR-YSGHYYTASA-L
XLogP3.96
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.63
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011433
N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride
CID 173243593
1-[4-chloro-6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutylphenyl)methanimine;iron(2+);dichloride
CID 70011558
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
CID 70012064
cobalt(3+);N-(2,6-dibutyl-4-methylphenyl)-1-[6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-4-methyl-2-pyridinyl]methanimine;trichloride
CID 70013740
N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011747
1-[4-chloro-6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutyl-4-methylphenyl)methanimine;neodymium(3+);trichloride
CID 173243871
1-[4-chloro-6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutyl-4-methylphenyl)methanimine;iron(2+);dichloride
CID 70015315
1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
CID 70014357
N-(2,6-dibutylphenyl)-1-[6-[N-(2,6-dibutylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium(2+);dichloride
CID 173243561
N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 90442397

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride?
The IUPAC name of N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride (CID 173244597) is N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride.
What is the SMILES notation for N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride?
The canonical SMILES for N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride is CCCCc1cccc(CCCC)c1/N=C/c1cccc(/C=N/c2c(CCCC)cccc2CCCC)n1.[Cl-].[Cl-].[V+2].
What is the InChIKey of N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride?
The InChIKey is HSQGXPHPXNRDDR-YSGHYYTASA-L. The full InChI is InChI=1S/C35H47N3.2ClH.V/c1-5-9-16-28-20-13-21-29(17-10-6-2)34(28)36-26-32-24-15-25-33(38-32)27-37-35-30(18-11-7-3)22-14-23-31(35)19-12-8-4;;;/h13-15,20-27H,5-12,16-19H2,1-4H3;2*1H;/q;;;+2/p-2/b36-26+,37-27+;;;.
What are the key properties of N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride?
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride has a molecular weight of 631.63 g/mol, XLogP of 3.96, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride is sourced from PubChem (CID 173244597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).