N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride

C32H41Cl3N3Nd — CID 173243069

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
SMILESCc1cc(/C=N/c2c(C(C)C)cccc2C(C)C)nc(/C=N/c2c(C(C)C)cccc2C(C)C)c1.[Cl-].[Cl-].[Cl-].[Nd+3]
InChIInChI=1S/C32H41N3.3ClH.Nd/c1-20(2)27-12-10-13-28(21(3)4)31(27)33-18-25-16-24(9)17-26(35-25)19-34-32-29(22(5)6)14-11-15-30(32)23(7)8;;;;/h10-23H,1-9H3;3*1H;/q;;;;+3/p-3/b33-18+,34-19+;;;;
InChIKeyQWJBLKCZOHFPHJ-MKYLVNQBSA-K
MW718.30 g/mol
LogP0.40
Rot. Bonds8

About N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride

N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride (PubChem CID 173243069) has the molecular formula C32H41Cl3N3Nd and a molecular weight of 718.30 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
PubChem CID173243069
Molecular FormulaC32H41Cl3N3Nd
Molecular Weight718.30 g/mol
Exact Mass714.14
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
SMILESCc1cc(/C=N/c2c(C(C)C)cccc2C(C)C)nc(/C=N/c2c(C(C)C)cccc2C(C)C)c1.[Cl-].[Cl-].[Cl-].[Nd+3]
InChIInChI=1S/C32H41N3.3ClH.Nd/c1-20(2)27-12-10-13-28(21(3)4)31(27)33-18-25-16-24(9)17-26(35-25)19-34-32-29(22(5)6)14-11-15-30(32)23(7)8;;;;/h10-23H,1-9H3;3*1H;/q;;;;+3/p-3/b33-18+,34-19+;;;;
InChIKeyQWJBLKCZOHFPHJ-MKYLVNQBSA-K
XLogP0.40
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500718.30
LogP ≤ 50.40
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

cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride
CID 70012092
1-[4-chloro-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]methanimine;vanadium(2+);dichloride
CID 173242768
N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine
CID 58933058
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
CID 101384973
iron(2+);1-[4-methyl-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;dichloride
CID 70013505
1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride
CID 173243115
N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011747
carbanide;iron(2+);N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 22968339
N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine
CID 20706875

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride (CID 173243069) is N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride is Cc1cc(/C=N/c2c(C(C)C)cccc2C(C)C)nc(/C=N/c2c(C(C)C)cccc2C(C)C)c1.[Cl-].[Cl-].[Cl-].[Nd+3].
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride?
The InChIKey is QWJBLKCZOHFPHJ-MKYLVNQBSA-K. The full InChI is InChI=1S/C32H41N3.3ClH.Nd/c1-20(2)27-12-10-13-28(21(3)4)31(27)33-18-25-16-24(9)17-26(35-25)19-34-32-29(22(5)6)14-11-15-30(32)23(7)8;;;;/h10-23H,1-9H3;3*1H;/q;;;;+3/p-3/b33-18+,34-19+;;;;.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride?
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride has a molecular weight of 718.30 g/mol, XLogP of 0.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride is sourced from PubChem (CID 173243069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).