1-bromo-2-ethenyl-3,4,5-triphenylbenzene

C26H19Br — CID 175315549

IUPAC1-bromo-2-ethenyl-3,4,5-triphenylbenzene
SMILESC=Cc1c(Br)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H19Br/c1-2-22-24(27)18-23(19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25(22)20-14-8-4-9-15-20/h2-18H,1H2
InChIKeyRIVBEPSALRSWGE-UHFFFAOYSA-N
MW411.34 g/mol
LogP8.09
Rot. Bonds4

About 1-bromo-2-ethenyl-3,4,5-triphenylbenzene

1-bromo-2-ethenyl-3,4,5-triphenylbenzene (PubChem CID 175315549) has the molecular formula C26H19Br and a molecular weight of 411.34 g/mol. Its IUPAC name is 1-bromo-2-ethenyl-3,4,5-triphenylbenzene.

Molecular Properties

Compound Name1-bromo-2-ethenyl-3,4,5-triphenylbenzene
PubChem CID175315549
Molecular FormulaC26H19Br
Molecular Weight411.34 g/mol
Exact Mass410.07
IUPAC Name1-bromo-2-ethenyl-3,4,5-triphenylbenzene
SMILESC=Cc1c(Br)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H19Br/c1-2-22-24(27)18-23(19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25(22)20-14-8-4-9-15-20/h2-18H,1H2
InChIKeyRIVBEPSALRSWGE-UHFFFAOYSA-N
XLogP8.09
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 ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethenyl-3,4,5-triphenylbenzene?
The IUPAC name of 1-bromo-2-ethenyl-3,4,5-triphenylbenzene (CID 175315549) is 1-bromo-2-ethenyl-3,4,5-triphenylbenzene.
What is the SMILES notation for 1-bromo-2-ethenyl-3,4,5-triphenylbenzene?
The canonical SMILES for 1-bromo-2-ethenyl-3,4,5-triphenylbenzene is C=Cc1c(Br)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-bromo-2-ethenyl-3,4,5-triphenylbenzene?
The InChIKey is RIVBEPSALRSWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br/c1-2-22-24(27)18-23(19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25(22)20-14-8-4-9-15-20/h2-18H,1H2.
What are the key properties of 1-bromo-2-ethenyl-3,4,5-triphenylbenzene?
1-bromo-2-ethenyl-3,4,5-triphenylbenzene has a molecular weight of 411.34 g/mol, XLogP of 8.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethenyl-3,4,5-triphenylbenzene is sourced from PubChem (CID 175315549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).