[(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene

C19H18 — CID 44560845

IUPAC[(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene
SMILESC(=C/C=C/c1ccccc1)\C=C\Cc1ccccc1
InChIInChI=1S/C19H18/c1(2-6-12-18-14-8-4-9-15-18)3-7-13-19-16-10-5-11-17-19/h1-12,14-17H,13H2/b2-1+,7-3+,12-6+
InChIKeyALZIGHRHGDHKPD-BCPZQFGSSA-N
MW246.35 g/mol
LogP5.05
Rot. Bonds5

About [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene

[(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene (PubChem CID 44560845) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene
PubChem CID44560845
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name[(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene
SMILESC(=C/C=C/c1ccccc1)\C=C\Cc1ccccc1
InChIInChI=1S/C19H18/c1(2-6-12-18-14-8-4-9-15-18)3-7-13-19-16-10-5-11-17-19/h1-12,14-17H,13H2/b2-1+,7-3+,12-6+
InChIKeyALZIGHRHGDHKPD-BCPZQFGSSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene 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 [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene?
The IUPAC name of [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene (CID 44560845) is [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene.
What is the SMILES notation for [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene?
The canonical SMILES for [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene is C(=C/C=C/c1ccccc1)\C=C\Cc1ccccc1.
What is the InChIKey of [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene?
The InChIKey is ALZIGHRHGDHKPD-BCPZQFGSSA-N. The full InChI is InChI=1S/C19H18/c1(2-6-12-18-14-8-4-9-15-18)3-7-13-19-16-10-5-11-17-19/h1-12,14-17H,13H2/b2-1+,7-3+,12-6+.
What are the key properties of [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene?
[(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene has a molecular weight of 246.35 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5E)-7-phenylhepta-1,3,5-trienyl]benzene is sourced from PubChem (CID 44560845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).