1,3-dibromo-5-[(E)-2-phenylethenyl]benzene

C14H10Br2 — CID 25129136

IUPAC1,3-dibromo-5-[(E)-2-phenylethenyl]benzene
SMILESBrc1cc(Br)cc(/C=C/c2ccccc2)c1
InChIInChI=1S/C14H10Br2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
InChIKeyQJCUQPWBTMQSOI-VOTSOKGWSA-N
MW338.04 g/mol
LogP5.38
Rot. Bonds2

About 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene

1,3-dibromo-5-[(E)-2-phenylethenyl]benzene (PubChem CID 25129136) has the molecular formula C14H10Br2 and a molecular weight of 338.04 g/mol. Its IUPAC name is 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1,3-dibromo-5-[(E)-2-phenylethenyl]benzene
PubChem CID25129136
Molecular FormulaC14H10Br2
Molecular Weight338.04 g/mol
Exact Mass335.91
IUPAC Name1,3-dibromo-5-[(E)-2-phenylethenyl]benzene
SMILESBrc1cc(Br)cc(/C=C/c2ccccc2)c1
InChIInChI=1S/C14H10Br2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
InChIKeyQJCUQPWBTMQSOI-VOTSOKGWSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.04
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pbb 169
CID 104942
2,3,3',4,4',5'-Hexabromobiphenyl
CID 158629
3-Bromotoluene
CID 11560
4-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
Pbb 77
CID 107953
4,4'-Dibromobiphenyl
CID 7110
2,2'-Dibromobiphenyl
CID 83060
3,5-Dibromobiphenyl
CID 3014933
2,4,6-Tribromobiphenyl
CID 92358
2,6-Dibromobiphenyl
CID 181210
2,3',5-Tribromobiphenyl
CID 181211

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene (CID 25129136) is 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene is Brc1cc(Br)cc(/C=C/c2ccccc2)c1.
What is the InChIKey of 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene?
The InChIKey is QJCUQPWBTMQSOI-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10Br2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+.
What are the key properties of 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene?
1,3-dibromo-5-[(E)-2-phenylethenyl]benzene has a molecular weight of 338.04 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 25129136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).