1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene

C24H20Br2 — CID 59951418

IUPAC1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene
SMILESCc1cccc(C=Cc2cc(Br)c(C=Cc3cccc(C)c3)cc2Br)c1
InChIInChI=1S/C24H20Br2/c1-17-5-3-7-19(13-17)9-11-21-15-24(26)22(16-23(21)25)12-10-20-8-4-6-18(2)14-20/h3-16H,1-2H3
InChIKeyUYCCOFBGSFGDQA-UHFFFAOYSA-N
MW468.23 g/mol
LogP8.17
Rot. Bonds4

About 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene

1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene (PubChem CID 59951418) has the molecular formula C24H20Br2 and a molecular weight of 468.23 g/mol. Its IUPAC name is 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene
PubChem CID59951418
Molecular FormulaC24H20Br2
Molecular Weight468.23 g/mol
Exact Mass465.99
IUPAC Name1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene
SMILESCc1cccc(C=Cc2cc(Br)c(C=Cc3cccc(C)c3)cc2Br)c1
InChIInChI=1S/C24H20Br2/c1-17-5-3-7-19(13-17)9-11-21-15-24(26)22(16-23(21)25)12-10-20-8-4-6-18(2)14-20/h3-16H,1-2H3
InChIKeyUYCCOFBGSFGDQA-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.23
LogP ≤ 58.17
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-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene
CID 10315048
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene?
The IUPAC name of 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene (CID 59951418) is 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene is Cc1cccc(C=Cc2cc(Br)c(C=Cc3cccc(C)c3)cc2Br)c1.
What is the InChIKey of 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene?
The InChIKey is UYCCOFBGSFGDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Br2/c1-17-5-3-7-19(13-17)9-11-21-15-24(26)22(16-23(21)25)12-10-20-8-4-6-18(2)14-20/h3-16H,1-2H3.
What are the key properties of 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene?
1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene has a molecular weight of 468.23 g/mol, XLogP of 8.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 59951418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).