[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene

C19H17Br — CID 126595609

IUPAC[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene
SMILESC=C(Br)/C=C(\C=C(/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17Br/c1-15(17-9-5-3-6-10-17)13-19(14-16(2)20)18-11-7-4-8-12-18/h3-14H,2H2,1H3/b15-13+,19-14+
InChIKeyHVSWHDYGDYEXKH-OIXOFKMYSA-N
MW325.25 g/mol
LogP6.08
Rot. Bonds4

About [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene

[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene (PubChem CID 126595609) has the molecular formula C19H17Br and a molecular weight of 325.25 g/mol. Its IUPAC name is [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene.

Molecular Properties

Compound Name[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene
PubChem CID126595609
Molecular FormulaC19H17Br
Molecular Weight325.25 g/mol
Exact Mass324.05
IUPAC Name[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene
SMILESC=C(Br)/C=C(\C=C(/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17Br/c1-15(17-9-5-3-6-10-17)13-19(14-16(2)20)18-11-7-4-8-12-18/h3-14H,2H2,1H3/b15-13+,19-14+
InChIKeyHVSWHDYGDYEXKH-OIXOFKMYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.25
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-triphenylhexa-2,4-dien-1-one
CID 628086
3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole
CID 129136426
N-[(3E)-4-phenylpenta-1,3-dien-2-yl]aniline
CID 167145828
4-phenylpent-3-en-2-one
CID 594380
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
(3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine
CID 134873256
1-bromoprop-1-en-2-ylbenzene
CID 5152757
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
ethane;4-phenylpent-3-en-2-one
CID 123324566
3-phenylbut-2-enoate
CID 6995278
1-[(3E,5E)-4-(3,5-diphenylphenyl)-6-(4-methylphenyl)hepta-1,3,5-trien-2-yl]-3,5-diphenylbenzene
CID 144969249
ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene
CID 155701822

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene?
The IUPAC name of [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene (CID 126595609) is [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene.
What is the SMILES notation for [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene?
The canonical SMILES for [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene is C=C(Br)/C=C(\C=C(/C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene?
The InChIKey is HVSWHDYGDYEXKH-OIXOFKMYSA-N. The full InChI is InChI=1S/C19H17Br/c1-15(17-9-5-3-6-10-17)13-19(14-16(2)20)18-11-7-4-8-12-18/h3-14H,2H2,1H3/b15-13+,19-14+.
What are the key properties of [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene?
[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene has a molecular weight of 325.25 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene is sourced from PubChem (CID 126595609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).