1-bromo-3-(1,2,2-triphenylethenyl)benzene

C26H19Br — CID 122366640

IUPAC1-bromo-3-(1,2,2-triphenylethenyl)benzene
SMILESBrc1cccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19Br/c27-24-18-10-17-23(19-24)26(22-15-8-3-9-16-22)25(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-19H
InChIKeyNBGYCGNBWNHVBV-UHFFFAOYSA-N
MW411.34 g/mol
LogP7.46
Rot. Bonds4

About 1-bromo-3-(1,2,2-triphenylethenyl)benzene

1-bromo-3-(1,2,2-triphenylethenyl)benzene (PubChem CID 122366640) has the molecular formula C26H19Br and a molecular weight of 411.34 g/mol. Its IUPAC name is 1-bromo-3-(1,2,2-triphenylethenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(1,2,2-triphenylethenyl)benzene
PubChem CID122366640
Molecular FormulaC26H19Br
Molecular Weight411.34 g/mol
Exact Mass410.07
IUPAC Name1-bromo-3-(1,2,2-triphenylethenyl)benzene
SMILESBrc1cccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19Br/c27-24-18-10-17-23(19-24)26(22-15-8-3-9-16-22)25(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-19H
InChIKeyNBGYCGNBWNHVBV-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 57.46
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-3-(1,2,2-triphenylethenyl)benzene?
The IUPAC name of 1-bromo-3-(1,2,2-triphenylethenyl)benzene (CID 122366640) is 1-bromo-3-(1,2,2-triphenylethenyl)benzene.
What is the SMILES notation for 1-bromo-3-(1,2,2-triphenylethenyl)benzene?
The canonical SMILES for 1-bromo-3-(1,2,2-triphenylethenyl)benzene is Brc1cccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-bromo-3-(1,2,2-triphenylethenyl)benzene?
The InChIKey is NBGYCGNBWNHVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br/c27-24-18-10-17-23(19-24)26(22-15-8-3-9-16-22)25(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-19H.
What are the key properties of 1-bromo-3-(1,2,2-triphenylethenyl)benzene?
1-bromo-3-(1,2,2-triphenylethenyl)benzene has a molecular weight of 411.34 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1,2,2-triphenylethenyl)benzene is sourced from PubChem (CID 122366640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).