4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene

C26H19Br — CID 66868039

IUPAC4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene
SMILESBrc1ccc(-c2ccccc2)c(/C(=C\c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19Br/c27-23-16-17-24(21-12-6-2-7-13-21)26(19-23)25(22-14-8-3-9-15-22)18-20-10-4-1-5-11-20/h1-19H/b25-18-
InChIKeyOSGMBURWXIAUGA-BWAHOGKJSA-N
MW411.34 g/mol
LogP7.70
Rot. Bonds4

About 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene

4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene (PubChem CID 66868039) has the molecular formula C26H19Br and a molecular weight of 411.34 g/mol. Its IUPAC name is 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene.

Molecular Properties

Compound Name4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene
PubChem CID66868039
Molecular FormulaC26H19Br
Molecular Weight411.34 g/mol
Exact Mass410.07
IUPAC Name4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene
SMILESBrc1ccc(-c2ccccc2)c(/C(=C\c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19Br/c27-23-16-17-24(21-12-6-2-7-13-21)26(19-23)25(22-14-8-3-9-15-22)18-20-10-4-1-5-11-20/h1-19H/b25-18-
InChIKeyOSGMBURWXIAUGA-BWAHOGKJSA-N
XLogP7.70
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 ≤ 57.70
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 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene?
The IUPAC name of 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene (CID 66868039) is 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene.
What is the SMILES notation for 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene?
The canonical SMILES for 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene is Brc1ccc(-c2ccccc2)c(/C(=C\c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene?
The InChIKey is OSGMBURWXIAUGA-BWAHOGKJSA-N. The full InChI is InChI=1S/C26H19Br/c27-23-16-17-24(21-12-6-2-7-13-21)26(19-23)25(22-14-8-3-9-15-22)18-20-10-4-1-5-11-20/h1-19H/b25-18-.
What are the key properties of 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene?
4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene has a molecular weight of 411.34 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene is sourced from PubChem (CID 66868039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).