[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene

C28H22 — CID 5377766

IUPAC[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
SMILESC(=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H22/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-22H/b27-21+,28-22+
InChIKeyDAABVBOFAIYKNX-GPAWKIAZSA-N
MW358.48 g/mol
LogP7.47
Rot. Bonds5

About [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene

[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene (PubChem CID 5377766) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
PubChem CID5377766
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
SMILESC(=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H22/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-22H/b27-21+,28-22+
InChIKeyDAABVBOFAIYKNX-GPAWKIAZSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene?
The IUPAC name of [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene (CID 5377766) is [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene.
What is the SMILES notation for [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene?
The canonical SMILES for [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene is C(=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1.
What is the InChIKey of [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene?
The InChIKey is DAABVBOFAIYKNX-GPAWKIAZSA-N. The full InChI is InChI=1S/C28H22/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-22H/b27-21+,28-22+.
What are the key properties of [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene?
[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene has a molecular weight of 358.48 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 5377766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).