N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine

C18H8Cl6N2O — CID 20701872

IUPACN-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine
SMILESClc1cc(Cl)c(/N=C/c2ccc(/C=N/c3c(Cl)cc(Cl)cc3Cl)o2)c(Cl)c1
InChIInChI=1S/C18H8Cl6N2O/c19-9-3-13(21)17(14(22)4-9)25-7-11-1-2-12(27-11)8-26-18-15(23)5-10(20)6-16(18)24/h1-8H/b25-7+,26-8+
InChIKeyYABRNCFRECZGEC-CFMYDQSQSA-N
MW480.99 g/mol
LogP8.70
Rot. Bonds4

About N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine

N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine (PubChem CID 20701872) has the molecular formula C18H8Cl6N2O and a molecular weight of 480.99 g/mol. Its IUPAC name is N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine
PubChem CID20701872
Molecular FormulaC18H8Cl6N2O
Molecular Weight480.99 g/mol
Exact Mass477.88
IUPAC NameN-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine
SMILESClc1cc(Cl)c(/N=C/c2ccc(/C=N/c3c(Cl)cc(Cl)cc3Cl)o2)c(Cl)c1
InChIInChI=1S/C18H8Cl6N2O/c19-9-3-13(21)17(14(22)4-9)25-7-11-1-2-12(27-11)8-26-18-15(23)5-10(20)6-16(18)24/h1-8H/b25-7+,26-8+
InChIKeyYABRNCFRECZGEC-CFMYDQSQSA-N
XLogP8.70
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.99
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine with MolForge

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Related Compounds

1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine
CID 2351279
dichloroiron;N-(2,6-difluorophenyl)-1-[5-[(2,6-difluorophenyl)iminomethyl]furan-2-yl]methanimine
CID 20701890
N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine
CID 22968266
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide
CID 20701846
2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50887505
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(4-ethoxyphenyl)methanimine
CID 3098706
N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine
CID 23329324
dichloroiron;(E)-N-pyridin-2-yl-1-[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methanimine
CID 20702025
1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine
CID 14006827
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 659930
6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4124584

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine?
The IUPAC name of N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine (CID 20701872) is N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine.
What is the SMILES notation for N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine?
The canonical SMILES for N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine is Clc1cc(Cl)c(/N=C/c2ccc(/C=N/c3c(Cl)cc(Cl)cc3Cl)o2)c(Cl)c1.
What is the InChIKey of N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine?
The InChIKey is YABRNCFRECZGEC-CFMYDQSQSA-N. The full InChI is InChI=1S/C18H8Cl6N2O/c19-9-3-13(21)17(14(22)4-9)25-7-11-1-2-12(27-11)8-26-18-15(23)5-10(20)6-16(18)24/h1-8H/b25-7+,26-8+.
What are the key properties of N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine?
N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine has a molecular weight of 480.99 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine is sourced from PubChem (CID 20701872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).