1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene

C26H20 — CID 121493700

IUPAC1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
SMILESC(=C(\c1ccccc1)c1cccc(-c2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C26H20/c1-4-11-21(12-5-1)19-26(23-15-8-3-9-16-23)25-18-10-17-24(20-25)22-13-6-2-7-14-22/h1-20H/b26-19+
InChIKeyJOVUQOLVVJPDFB-LGUFXXKBSA-N
MW332.45 g/mol
LogP6.94
Rot. Bonds4

About 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene

1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene (PubChem CID 121493700) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene.

Molecular Properties

Compound Name1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
PubChem CID121493700
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
SMILESC(=C(\c1ccccc1)c1cccc(-c2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C26H20/c1-4-11-21(12-5-1)19-26(23-15-8-3-9-16-23)25-18-10-17-24(20-25)22-13-6-2-7-14-22/h1-20H/b26-19+
InChIKeyJOVUQOLVVJPDFB-LGUFXXKBSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene?
The IUPAC name of 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene (CID 121493700) is 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene.
What is the SMILES notation for 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene?
The canonical SMILES for 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene is C(=C(\c1ccccc1)c1cccc(-c2ccccc2)c1)\c1ccccc1.
What is the InChIKey of 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene?
The InChIKey is JOVUQOLVVJPDFB-LGUFXXKBSA-N. The full InChI is InChI=1S/C26H20/c1-4-11-21(12-5-1)19-26(23-15-8-3-9-16-23)25-18-10-17-24(20-25)22-13-6-2-7-14-22/h1-20H/b26-19+.
What are the key properties of 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene?
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene has a molecular weight of 332.45 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene is sourced from PubChem (CID 121493700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).