(E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene

C26H24Br2O — CID 145297593

IUPAC(E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene
SMILESC/C=C\CC.O=C(/C=C/c1cc(Br)cc(Br)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14Br2O.C5H10/c22-19-12-15(13-20(23)14-19)6-11-21(24)18-9-7-17(8-10-18)16-4-2-1-3-5-16;1-3-5-4-2/h1-14H;3,5H,4H2,1-2H3/b11-6+;5-3-
InChIKeyKESPQMGDJPNFGD-QXYWGVEISA-N
MW512.29 g/mol
LogP8.75
Rot. Bonds5

About (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene

(E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene (PubChem CID 145297593) has the molecular formula C26H24Br2O and a molecular weight of 512.29 g/mol. Its IUPAC name is (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene.

Molecular Properties

Compound Name(E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene
PubChem CID145297593
Molecular FormulaC26H24Br2O
Molecular Weight512.29 g/mol
Exact Mass510.02
IUPAC Name(E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene
SMILESC/C=C\CC.O=C(/C=C/c1cc(Br)cc(Br)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14Br2O.C5H10/c22-19-12-15(13-20(23)14-19)6-11-21(24)18-9-7-17(8-10-18)16-4-2-1-3-5-16;1-3-5-4-2/h1-14H;3,5H,4H2,1-2H3/b11-6+;5-3-
InChIKeyKESPQMGDJPNFGD-QXYWGVEISA-N
XLogP8.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.29
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromobenzaldehyde;(E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;1-(4-phenylphenyl)ethanone
CID 160690229
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
1-(3-bromophenyl)-3-(3,5-dibromophenyl)prop-2-en-1-one
CID 123139887
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 67828986
(E)-3-(3-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 6282407
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
(Z)-1-phenylpent-2-en-1-one
CID 91998885
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene?
The IUPAC name of (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene (CID 145297593) is (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene.
What is the SMILES notation for (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene?
The canonical SMILES for (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene is C/C=C\CC.O=C(/C=C/c1cc(Br)cc(Br)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene?
The InChIKey is KESPQMGDJPNFGD-QXYWGVEISA-N. The full InChI is InChI=1S/C21H14Br2O.C5H10/c22-19-12-15(13-20(23)14-19)6-11-21(24)18-9-7-17(8-10-18)16-4-2-1-3-5-16;1-3-5-4-2/h1-14H;3,5H,4H2,1-2H3/b11-6+;5-3-.
What are the key properties of (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene?
(E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene has a molecular weight of 512.29 g/mol, XLogP of 8.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene is sourced from PubChem (CID 145297593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).