1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene

C23H15BrCl2F2 — CID 134904551

IUPAC1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene
SMILESFc1ccc(/C(Cl)=C/C(/C=C(/Cl)c2ccc(F)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H15BrCl2F2/c24-19-7-1-15(2-8-19)18(13-22(25)16-3-9-20(27)10-4-16)14-23(26)17-5-11-21(28)12-6-17/h1-14,18H/b22-13-,23-14+
InChIKeyXIXFDGGIAMNHNU-BQGZOASHSA-N
MW480.18 g/mol
LogP8.37
Rot. Bonds5

About 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene

1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene (PubChem CID 134904551) has the molecular formula C23H15BrCl2F2 and a molecular weight of 480.18 g/mol. Its IUPAC name is 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene
PubChem CID134904551
Molecular FormulaC23H15BrCl2F2
Molecular Weight480.18 g/mol
Exact Mass477.97
IUPAC Name1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene
SMILESFc1ccc(/C(Cl)=C/C(/C=C(/Cl)c2ccc(F)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H15BrCl2F2/c24-19-7-1-15(2-8-19)18(13-22(25)16-3-9-20(27)10-4-16)14-23(26)17-5-11-21(28)12-6-17/h1-14,18H/b22-13-,23-14+
InChIKeyXIXFDGGIAMNHNU-BQGZOASHSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.18
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]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

p,p'-Dibromodiphenyl trichloroethane
CID 18130
4-Bromo-4'-fluoro-1,1'-biphenyl
CID 96882
4-Bromo-2-fluoro-1,1'-biphenyl
CID 521063
4,4',4''-Trifluorotrityl Bromide
CID 626724
BrteFT
CID 89937289
2-(4-Bromophenyl)-1,1-diphenylethylene
CID 630600
1,5-Dibromo-2,4-bis(4-chloro-2-fluorophenyl)benzene
CID 154709388
Benzene, 1,1'-(2,2-dichloroethylidene)bis(4-bromo-
CID 78889
4-Bromo-3-fluoro-1,1'-biphenyl
CID 11715782
1-Bromo-4-cyclohexyl-2-fluorobenzene
CID 56992672
1-Bromo-4-(diphenylmethyl)benzene
CID 224223
Bromo-4-(2,2-diphenyl) vinylbenzene
CID 12963255

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene?
The IUPAC name of 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene (CID 134904551) is 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene?
The canonical SMILES for 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene is Fc1ccc(/C(Cl)=C/C(/C=C(/Cl)c2ccc(F)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene?
The InChIKey is XIXFDGGIAMNHNU-BQGZOASHSA-N. The full InChI is InChI=1S/C23H15BrCl2F2/c24-19-7-1-15(2-8-19)18(13-22(25)16-3-9-20(27)10-4-16)14-23(26)17-5-11-21(28)12-6-17/h1-14,18H/b22-13-,23-14+.
What are the key properties of 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene?
1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene has a molecular weight of 480.18 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(1Z,4E)-1,5-dichloro-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]benzene is sourced from PubChem (CID 134904551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).