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

C20H14Br2 — CID 138971079

IUPAC1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene
SMILESBr/C(=C(/c1ccccc1)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C20H14Br2/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(22)16-11-5-2-6-12-16/h1-14H/b20-19-
InChIKeyYIWHPZPPRGDUJL-VXPUYCOJSA-N
MW414.14 g/mol
LogP6.76
Rot. Bonds3

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

1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene (PubChem CID 138971079) has the molecular formula C20H14Br2 and a molecular weight of 414.14 g/mol. Its IUPAC name is 1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene
PubChem CID138971079
Molecular FormulaC20H14Br2
Molecular Weight414.14 g/mol
Exact Mass411.95
IUPAC Name1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene
SMILESBr/C(=C(/c1ccccc1)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C20H14Br2/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(22)16-11-5-2-6-12-16/h1-14H/b20-19-
InChIKeyYIWHPZPPRGDUJL-VXPUYCOJSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.14
LogP ≤ 56.76
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-[(Z)-2-bromo-1,2-diphenylethenyl]benzene?
The IUPAC name of 1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene (CID 138971079) is 1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene.
What is the SMILES notation for 1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene?
The canonical SMILES for 1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene is Br/C(=C(/c1ccccc1)c1ccccc1Br)c1ccccc1.
What is the InChIKey of 1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene?
The InChIKey is YIWHPZPPRGDUJL-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H14Br2/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(22)16-11-5-2-6-12-16/h1-14H/b20-19-.
What are the key properties of 1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene?
1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene has a molecular weight of 414.14 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene is sourced from PubChem (CID 138971079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).