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

C20H15Br — CID 12963255

IUPAC1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene
SMILESBrc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H15Br/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-15H/b20-15-
InChIKeyNFMIZZDZTWPWLM-HKWRFOASSA-N
MW335.24 g/mol
LogP6.04
Rot. Bonds3

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

1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene (PubChem CID 12963255) has the molecular formula C20H15Br and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene
PubChem CID12963255
Molecular FormulaC20H15Br
Molecular Weight335.24 g/mol
Exact Mass334.04
IUPAC Name1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene
SMILESBrc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H15Br/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-15H/b20-15-
InChIKeyNFMIZZDZTWPWLM-HKWRFOASSA-N
XLogP6.04
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 ≤ 56.04
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-4-[(Z)-1,2-diphenylethenyl]benzene?
The IUPAC name of 1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene (CID 12963255) is 1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene is Brc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene?
The InChIKey is NFMIZZDZTWPWLM-HKWRFOASSA-N. The full InChI is InChI=1S/C20H15Br/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-15H/b20-15-.
What are the key properties of 1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene?
1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene has a molecular weight of 335.24 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-1,2-diphenylethenyl]benzene is sourced from PubChem (CID 12963255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).