(E)-N,N'-diphenylpent-2-ene-1,5-diimine

C17H16N2 — CID 5473746

IUPAC(E)-N,N'-diphenylpent-2-ene-1,5-diimine
SMILESC(=C/C/C=N/c1ccccc1)\C=N\c1ccccc1
InChIInChI=1S/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-8,10-15H,9H2/b8-3+,18-14+,19-15+
InChIKeyOYTZUGLPJZKBKS-CSRPTTBYSA-N
MW248.33 g/mol
LogP4.74
Rot. Bonds5

About (E)-N,N'-diphenylpent-2-ene-1,5-diimine

(E)-N,N'-diphenylpent-2-ene-1,5-diimine (PubChem CID 5473746) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-N,N'-diphenylpent-2-ene-1,5-diimine.

Molecular Properties

Compound Name(E)-N,N'-diphenylpent-2-ene-1,5-diimine
PubChem CID5473746
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(E)-N,N'-diphenylpent-2-ene-1,5-diimine
SMILESC(=C/C/C=N/c1ccccc1)\C=N\c1ccccc1
InChIInChI=1S/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-8,10-15H,9H2/b8-3+,18-14+,19-15+
InChIKeyOYTZUGLPJZKBKS-CSRPTTBYSA-N
XLogP4.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,N'-diphenylpent-2-ene-1,5-diimine 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)-N,N'-diphenylpent-2-ene-1,5-diimine?
The IUPAC name of (E)-N,N'-diphenylpent-2-ene-1,5-diimine (CID 5473746) is (E)-N,N'-diphenylpent-2-ene-1,5-diimine.
What is the SMILES notation for (E)-N,N'-diphenylpent-2-ene-1,5-diimine?
The canonical SMILES for (E)-N,N'-diphenylpent-2-ene-1,5-diimine is C(=C/C/C=N/c1ccccc1)\C=N\c1ccccc1.
What is the InChIKey of (E)-N,N'-diphenylpent-2-ene-1,5-diimine?
The InChIKey is OYTZUGLPJZKBKS-CSRPTTBYSA-N. The full InChI is InChI=1S/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-8,10-15H,9H2/b8-3+,18-14+,19-15+.
What are the key properties of (E)-N,N'-diphenylpent-2-ene-1,5-diimine?
(E)-N,N'-diphenylpent-2-ene-1,5-diimine has a molecular weight of 248.33 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-diphenylpent-2-ene-1,5-diimine is sourced from PubChem (CID 5473746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).