(E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine

C21H18N2O — CID 54610328

IUPAC(E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine
SMILESC/C(=C\C(=N\N=C\c1ccco1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O/c1-17(18-9-4-2-5-10-18)15-21(19-11-6-3-7-12-19)23-22-16-20-13-8-14-24-20/h2-16H,1H3/b17-15+,22-16+,23-21-
InChIKeyYFUJXTJXDCNWKI-UTZVDUHPSA-N
MW314.39 g/mol
LogP5.21
Rot. Bonds5

About (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine

(E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine (PubChem CID 54610328) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine
PubChem CID54610328
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine
SMILESC/C(=C\C(=N\N=C\c1ccco1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O/c1-17(18-9-4-2-5-10-18)15-21(19-11-6-3-7-12-19)23-22-16-20-13-8-14-24-20/h2-16H,1H3/b17-15+,22-16+,23-21-
InChIKeyYFUJXTJXDCNWKI-UTZVDUHPSA-N
XLogP5.21
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine?
The IUPAC name of (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine (CID 54610328) is (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine.
What is the SMILES notation for (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine?
The canonical SMILES for (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine is C/C(=C\C(=N\N=C\c1ccco1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine?
The InChIKey is YFUJXTJXDCNWKI-UTZVDUHPSA-N. The full InChI is InChI=1S/C21H18N2O/c1-17(18-9-4-2-5-10-18)15-21(19-11-6-3-7-12-19)23-22-16-20-13-8-14-24-20/h2-16H,1H3/b17-15+,22-16+,23-21-.
What are the key properties of (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine?
(E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine has a molecular weight of 314.39 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-[(E)-furan-2-ylmethylideneamino]-1,3-diphenylbut-2-en-1-imine is sourced from PubChem (CID 54610328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).