1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene

C23H15Br2ClF2 — CID 167713766

IUPAC1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene
SMILESCc1cccc(/C=C\c2ccc(/C=C\c3cc(Cl)ccc3Br)c(F)c2F)c1Br
InChIInChI=1S/C23H15Br2ClF2/c1-14-3-2-4-15(21(14)25)5-6-16-7-8-17(23(28)22(16)27)9-10-18-13-19(26)11-12-20(18)24/h2-13H,1H3/b6-5-,10-9-
InChIKeyGTWIERDYBMYZIY-WBHJMADESA-N
MW524.63 g/mol
LogP8.79
Rot. Bonds4

About 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene

1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene (PubChem CID 167713766) has the molecular formula C23H15Br2ClF2 and a molecular weight of 524.63 g/mol. Its IUPAC name is 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene
PubChem CID167713766
Molecular FormulaC23H15Br2ClF2
Molecular Weight524.63 g/mol
Exact Mass521.92
IUPAC Name1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene
SMILESCc1cccc(/C=C\c2ccc(/C=C\c3cc(Cl)ccc3Br)c(F)c2F)c1Br
InChIInChI=1S/C23H15Br2ClF2/c1-14-3-2-4-15(21(14)25)5-6-16-7-8-17(23(28)22(16)27)9-10-18-13-19(26)11-12-20(18)24/h2-13H,1H3/b6-5-,10-9-
InChIKeyGTWIERDYBMYZIY-WBHJMADESA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 58.79
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-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
CID 167713767
1-Bromo-2-(bromomethyl)-4-chloro-5-(4-ethylbenzyl)benzene
CID 68740201
(Z)-1-bromo-2-(2-bromostyryl)-4-chlorobenzene
CID 86677619
1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene
CID 89425177
2-Bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene
CID 59146273
1-[4-[2-(2-Bromo-3-but-1-en-2-ylphenyl)ethyl]phenyl]-2-chloro-4,5-difluorobenzene
CID 68337360
1-Bromo-4-chloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 91204099
4-(2-Bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene
CID 91502159
1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene
CID 134216980
1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-(trifluoromethyl)benzene
CID 134217781
2-Bromo-1-(3-chlorophenyl)-3-(fluoromethyl)benzene
CID 140196785
2-Bromo-1-(3-chlorophenyl)-3-(difluoromethyl)benzene
CID 140197046

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene?
The IUPAC name of 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene (CID 167713766) is 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene is Cc1cccc(/C=C\c2ccc(/C=C\c3cc(Cl)ccc3Br)c(F)c2F)c1Br.
What is the InChIKey of 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene?
The InChIKey is GTWIERDYBMYZIY-WBHJMADESA-N. The full InChI is InChI=1S/C23H15Br2ClF2/c1-14-3-2-4-15(21(14)25)5-6-16-7-8-17(23(28)22(16)27)9-10-18-13-19(26)11-12-20(18)24/h2-13H,1H3/b6-5-,10-9-.
What are the key properties of 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene?
1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene has a molecular weight of 524.63 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-[(Z)-2-(2-bromo-3-methylphenyl)ethenyl]-2,3-difluorobenzene is sourced from PubChem (CID 167713766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).