1,3-dibromo-5-(2-phenylethenyl)benzene

C14H10Br2 — CID 74389715

IUPAC1,3-dibromo-5-(2-phenylethenyl)benzene
SMILESBrc1cc(Br)cc(C=Cc2ccccc2)c1
InChIInChI=1S/C14H10Br2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H
InChIKeyQJCUQPWBTMQSOI-UHFFFAOYSA-N
MW338.04 g/mol
LogP5.38
Rot. Bonds2

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

1,3-dibromo-5-(2-phenylethenyl)benzene (PubChem CID 74389715) has the molecular formula C14H10Br2 and a molecular weight of 338.04 g/mol. Its IUPAC name is 1,3-dibromo-5-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-5-(2-phenylethenyl)benzene
PubChem CID74389715
Molecular FormulaC14H10Br2
Molecular Weight338.04 g/mol
Exact Mass335.91
IUPAC Name1,3-dibromo-5-(2-phenylethenyl)benzene
SMILESBrc1cc(Br)cc(C=Cc2ccccc2)c1
InChIInChI=1S/C14H10Br2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H
InChIKeyQJCUQPWBTMQSOI-UHFFFAOYSA-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'}

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Related Compounds

1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
CID 166844983
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
2-[(E)-2-phenylethenyl]azulene
CID 12674002
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
stilbene;sulfuric acid
CID 67612140
2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol
CID 45257698
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-(2-phenylethenyl)benzene?
The IUPAC name of 1,3-dibromo-5-(2-phenylethenyl)benzene (CID 74389715) is 1,3-dibromo-5-(2-phenylethenyl)benzene.
What is the SMILES notation for 1,3-dibromo-5-(2-phenylethenyl)benzene?
The canonical SMILES for 1,3-dibromo-5-(2-phenylethenyl)benzene is Brc1cc(Br)cc(C=Cc2ccccc2)c1.
What is the InChIKey of 1,3-dibromo-5-(2-phenylethenyl)benzene?
The InChIKey is QJCUQPWBTMQSOI-UHFFFAOYSA-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.
What are the key properties of 1,3-dibromo-5-(2-phenylethenyl)benzene?
1,3-dibromo-5-(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-(2-phenylethenyl)benzene is sourced from PubChem (CID 74389715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).