[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene

C18H16 — CID 5376733

IUPAC[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
SMILESC(=C/C=C/c1ccccc1)\C=C\c1ccccc1
InChIInChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H/b2-1+,11-5+,12-6+
InChIKeyBOBLSBAZCVBABY-WPWUJOAOSA-N
MW232.33 g/mol
LogP4.97
Rot. Bonds4

About [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene

[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene (PubChem CID 5376733) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
PubChem CID5376733
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
SMILESC(=C/C=C/c1ccccc1)\C=C\c1ccccc1
InChIInChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H/b2-1+,11-5+,12-6+
InChIKeyBOBLSBAZCVBABY-WPWUJOAOSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene?
The IUPAC name of [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene (CID 5376733) is [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene.
What is the SMILES notation for [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene?
The canonical SMILES for [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene is C(=C/C=C/c1ccccc1)\C=C\c1ccccc1.
What is the InChIKey of [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene?
The InChIKey is BOBLSBAZCVBABY-WPWUJOAOSA-N. The full InChI is InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H/b2-1+,11-5+,12-6+.
What are the key properties of [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene?
[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene has a molecular weight of 232.33 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 5376733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).