(Z)-1,4-diphenylbut-2-en-1-imine;ethane

C18H21N — CID 145272751

IUPAC(Z)-1,4-diphenylbut-2-en-1-imine;ethane
SMILESCC.[H]/N=C(\C=C/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N.C2H6/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14;1-2/h1-9,11-13,17H,10H2;1-2H3/b13-7-,17-16+;
InChIKeyWLLWRGXIGOSVMW-MTLHKZOGSA-N
MW251.37 g/mol
LogP4.88
Rot. Bonds4

About (Z)-1,4-diphenylbut-2-en-1-imine;ethane

(Z)-1,4-diphenylbut-2-en-1-imine;ethane (PubChem CID 145272751) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (Z)-1,4-diphenylbut-2-en-1-imine;ethane.

Molecular Properties

Compound Name(Z)-1,4-diphenylbut-2-en-1-imine;ethane
PubChem CID145272751
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(Z)-1,4-diphenylbut-2-en-1-imine;ethane
SMILESCC.[H]/N=C(\C=C/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N.C2H6/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14;1-2/h1-9,11-13,17H,10H2;1-2H3/b13-7-,17-16+;
InChIKeyWLLWRGXIGOSVMW-MTLHKZOGSA-N
XLogP4.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-1,4-diphenylbut-2-en-1-imine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole
CID 145387103
(Z)-1-[3-[3,6-diphenyl-2-[3-[(Z)-4-phenylbut-2-enimidoyl]phenyl]phenyl]phenyl]-4-phenylbut-2-ene-1,4-diimine
CID 170026216
(Z)-4-imino-4-phenylbut-2-enimidamide
CID 143937504
ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine
CID 145295437
(2E,5E)-1-phenylhepta-2,5-dien-4-one
CID 102247041
(Z)-4-phenylbut-2-enoyl chloride
CID 176872561
4-phenyl-N-propylbut-2-enamide
CID 154634438
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
ethane;1-phenylethanimine
CID 91121262
(2Z)-4-bromo-3-methyl-1-phenylpenta-2,4-dien-1-imine
CID 131981966
(Z)-2,4-diphenylbut-2-en-1-imine
CID 144876754
N-butyl-4-phenylbut-2-enamide
CID 154634439

Frequently Asked Questions

What is the IUPAC name of (Z)-1,4-diphenylbut-2-en-1-imine;ethane?
The IUPAC name of (Z)-1,4-diphenylbut-2-en-1-imine;ethane (CID 145272751) is (Z)-1,4-diphenylbut-2-en-1-imine;ethane.
What is the SMILES notation for (Z)-1,4-diphenylbut-2-en-1-imine;ethane?
The canonical SMILES for (Z)-1,4-diphenylbut-2-en-1-imine;ethane is CC.[H]/N=C(\C=C/Cc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1,4-diphenylbut-2-en-1-imine;ethane?
The InChIKey is WLLWRGXIGOSVMW-MTLHKZOGSA-N. The full InChI is InChI=1S/C16H15N.C2H6/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14;1-2/h1-9,11-13,17H,10H2;1-2H3/b13-7-,17-16+;.
What are the key properties of (Z)-1,4-diphenylbut-2-en-1-imine;ethane?
(Z)-1,4-diphenylbut-2-en-1-imine;ethane has a molecular weight of 251.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-diphenylbut-2-en-1-imine;ethane is sourced from PubChem (CID 145272751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).