1,2-diphenylethenylbenzene

C20H16 — CID 6025

IUPAC1,2-diphenylethenylbenzene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyMKYQPGPNVYRMHI-UHFFFAOYSA-N
MW256.35 g/mol
LogP5.28
Rot. Bonds3

About 1,2-diphenylethenylbenzene

1,2-diphenylethenylbenzene (PubChem CID 6025) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,2-diphenylethenylbenzene.

Molecular Properties

Compound Name1,2-diphenylethenylbenzene
PubChem CID6025
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name1,2-diphenylethenylbenzene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyMKYQPGPNVYRMHI-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.35
LogP ≤ 55.28
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 1,2-diphenylethenylbenzene?
The IUPAC name of 1,2-diphenylethenylbenzene (CID 6025) is 1,2-diphenylethenylbenzene.
What is the SMILES notation for 1,2-diphenylethenylbenzene?
The canonical SMILES for 1,2-diphenylethenylbenzene is C(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethenylbenzene?
The InChIKey is MKYQPGPNVYRMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 1,2-diphenylethenylbenzene?
1,2-diphenylethenylbenzene has a molecular weight of 256.35 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethenylbenzene is sourced from PubChem (CID 6025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).