1-(1,2-diphenylethenyl)-4-phenylbenzene

C26H20 — CID 54005685

IUPAC1-(1,2-diphenylethenyl)-4-phenylbenzene
SMILESC(=C(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H20/c1-4-10-21(11-5-1)20-26(24-14-8-3-9-15-24)25-18-16-23(17-19-25)22-12-6-2-7-13-22/h1-20H
InChIKeyKOSMEZDDGXNNAN-UHFFFAOYSA-N
MW332.45 g/mol
LogP6.94
Rot. Bonds4

About 1-(1,2-diphenylethenyl)-4-phenylbenzene

1-(1,2-diphenylethenyl)-4-phenylbenzene (PubChem CID 54005685) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(1,2-diphenylethenyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(1,2-diphenylethenyl)-4-phenylbenzene
PubChem CID54005685
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name1-(1,2-diphenylethenyl)-4-phenylbenzene
SMILESC(=C(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H20/c1-4-10-21(11-5-1)20-26(24-14-8-3-9-15-24)25-18-16-23(17-19-25)22-12-6-2-7-13-22/h1-20H
InChIKeyKOSMEZDDGXNNAN-UHFFFAOYSA-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-(1,2-diphenylethenyl)-4-phenylbenzene?
The IUPAC name of 1-(1,2-diphenylethenyl)-4-phenylbenzene (CID 54005685) is 1-(1,2-diphenylethenyl)-4-phenylbenzene.
What is the SMILES notation for 1-(1,2-diphenylethenyl)-4-phenylbenzene?
The canonical SMILES for 1-(1,2-diphenylethenyl)-4-phenylbenzene is C(=C(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-(1,2-diphenylethenyl)-4-phenylbenzene?
The InChIKey is KOSMEZDDGXNNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-4-10-21(11-5-1)20-26(24-14-8-3-9-15-24)25-18-16-23(17-19-25)22-12-6-2-7-13-22/h1-20H.
What are the key properties of 1-(1,2-diphenylethenyl)-4-phenylbenzene?
1-(1,2-diphenylethenyl)-4-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-(1,2-diphenylethenyl)-4-phenylbenzene is sourced from PubChem (CID 54005685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).