(1-bromo-2,2-diphenylethenyl)benzene

C20H15Br — CID 15354

IUPAC(1-bromo-2,2-diphenylethenyl)benzene
SMILESBrC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKeyVUQVJIUBUPPCDB-UHFFFAOYSA-N
MW335.24 g/mol
LogP6.00
Rot. Bonds3

About (1-bromo-2,2-diphenylethenyl)benzene

(1-bromo-2,2-diphenylethenyl)benzene (PubChem CID 15354) has the molecular formula C20H15Br and a molecular weight of 335.24 g/mol. Its IUPAC name is (1-bromo-2,2-diphenylethenyl)benzene.

Molecular Properties

Compound Name(1-bromo-2,2-diphenylethenyl)benzene
PubChem CID15354
Molecular FormulaC20H15Br
Molecular Weight335.24 g/mol
Exact Mass334.04
IUPAC Name(1-bromo-2,2-diphenylethenyl)benzene
SMILESBrC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKeyVUQVJIUBUPPCDB-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.24
LogP ≤ 56.00
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-bromo-2,2-diphenylethenyl)benzene?
The IUPAC name of (1-bromo-2,2-diphenylethenyl)benzene (CID 15354) is (1-bromo-2,2-diphenylethenyl)benzene.
What is the SMILES notation for (1-bromo-2,2-diphenylethenyl)benzene?
The canonical SMILES for (1-bromo-2,2-diphenylethenyl)benzene is BrC(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-bromo-2,2-diphenylethenyl)benzene?
The InChIKey is VUQVJIUBUPPCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H.
What are the key properties of (1-bromo-2,2-diphenylethenyl)benzene?
(1-bromo-2,2-diphenylethenyl)benzene has a molecular weight of 335.24 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2,2-diphenylethenyl)benzene is sourced from PubChem (CID 15354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).