(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine

C18H10Cl4N4O2 — CID 54606337

IUPAC(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine
SMILESClc1c(Cl)c(/C=N/N=C\c2ccco2)c(Cl)c(Cl)c1/C=N\N=C\c1ccco1
InChIInChI=1S/C18H10Cl4N4O2/c19-15-13(9-25-23-7-11-3-1-5-27-11)16(20)18(22)14(17(15)21)10-26-24-8-12-4-2-6-28-12/h1-10H/b23-7-,24-8+,25-9+,26-10-
InChIKeyWKTXZKFKUSWSFE-GBOZYVHPSA-N
MW456.12 g/mol
LogP6.39
Rot. Bonds6

About (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine

(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine (PubChem CID 54606337) has the molecular formula C18H10Cl4N4O2 and a molecular weight of 456.12 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine
PubChem CID54606337
Molecular FormulaC18H10Cl4N4O2
Molecular Weight456.12 g/mol
Exact Mass453.96
IUPAC Name(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine
SMILESClc1c(Cl)c(/C=N/N=C\c2ccco2)c(Cl)c(Cl)c1/C=N\N=C\c1ccco1
InChIInChI=1S/C18H10Cl4N4O2/c19-15-13(9-25-23-7-11-3-1-5-27-11)16(20)18(22)14(17(15)21)10-26-24-8-12-4-2-6-28-12/h1-10H/b23-7-,24-8+,25-9+,26-10-
InChIKeyWKTXZKFKUSWSFE-GBOZYVHPSA-N
XLogP6.39
TPSA75.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.12
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine with MolForge

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Related Compounds

(E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine
CID 92523787
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076
4-chloro-2-[(Z)-[(E)-furan-2-ylmethylidenehydrazinylidene]methyl]phenol
CID 135478753
2-[(Z)-[(E)-furan-2-ylmethylidenehydrazinylidene]methyl]phenol
CID 135478746
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
(Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine
CID 54610300
2-[(Z)-2-chloroethenyl]furan
CID 11389398
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol
CID 135607691
1-(furan-2-yl)-N-[(E)-prop-1-enyl]methanimine
CID 13128411
1-(furan-2-yl)-N-hydroperoxymethanimine
CID 131862046

Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine (CID 54606337) is (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine is Clc1c(Cl)c(/C=N/N=C\c2ccco2)c(Cl)c(Cl)c1/C=N\N=C\c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine?
The InChIKey is WKTXZKFKUSWSFE-GBOZYVHPSA-N. The full InChI is InChI=1S/C18H10Cl4N4O2/c19-15-13(9-25-23-7-11-3-1-5-27-11)16(20)18(22)14(17(15)21)10-26-24-8-12-4-2-6-28-12/h1-10H/b23-7-,24-8+,25-9+,26-10-.
What are the key properties of (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine?
(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine has a molecular weight of 456.12 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine is sourced from PubChem (CID 54606337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).