1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene

C24H18Br2F2 — CID 134904653

IUPAC1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene
SMILESCc1ccc(C(/C=C(\Br)c2ccc(F)cc2)/C=C(/Br)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18Br2F2/c1-16-2-4-17(5-3-16)20(14-23(25)18-6-10-21(27)11-7-18)15-24(26)19-8-12-22(28)13-9-19/h2-15,20H,1H3/b23-14-,24-15+
InChIKeyGMFQCZKZNCZRHA-PMICNGQHSA-N
MW504.21 g/mol
LogP8.23
Rot. Bonds5

About 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene

1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene (PubChem CID 134904653) has the molecular formula C24H18Br2F2 and a molecular weight of 504.21 g/mol. Its IUPAC name is 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene
PubChem CID134904653
Molecular FormulaC24H18Br2F2
Molecular Weight504.21 g/mol
Exact Mass501.97
IUPAC Name1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene
SMILESCc1ccc(C(/C=C(\Br)c2ccc(F)cc2)/C=C(/Br)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18Br2F2/c1-16-2-4-17(5-3-16)20(14-23(25)18-6-10-21(27)11-7-18)15-24(26)19-8-12-22(28)13-9-19/h2-15,20H,1H3/b23-14-,24-15+
InChIKeyGMFQCZKZNCZRHA-PMICNGQHSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.21
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene
CID 15526799
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid
CID 170873795
1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene
CID 21336384
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide
CID 100829555
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 111115069
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978
1-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 78752939
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene?
The IUPAC name of 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene (CID 134904653) is 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene?
The canonical SMILES for 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene is Cc1ccc(C(/C=C(\Br)c2ccc(F)cc2)/C=C(/Br)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene?
The InChIKey is GMFQCZKZNCZRHA-PMICNGQHSA-N. The full InChI is InChI=1S/C24H18Br2F2/c1-16-2-4-17(5-3-16)20(14-23(25)18-6-10-21(27)11-7-18)15-24(26)19-8-12-22(28)13-9-19/h2-15,20H,1H3/b23-14-,24-15+.
What are the key properties of 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene?
1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene has a molecular weight of 504.21 g/mol, XLogP of 8.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene is sourced from PubChem (CID 134904653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).