1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene

C28H25Br — CID 142742547

IUPAC1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene
SMILESC=Cc1ccc(CCCCc2ccc(-c3ccc(Br)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H25Br/c1-2-21-11-13-22(14-12-21)7-3-4-8-23-17-20-27(24-15-18-25(29)19-16-24)28-10-6-5-9-26(23)28/h2,5-6,9-20H,1,3-4,7-8H2
InChIKeyGCDJYSJRVSKQNN-UHFFFAOYSA-N
MW441.41 g/mol
LogP8.48
Rot. Bonds7

About 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene

1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene (PubChem CID 142742547) has the molecular formula C28H25Br and a molecular weight of 441.41 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene
PubChem CID142742547
Molecular FormulaC28H25Br
Molecular Weight441.41 g/mol
Exact Mass440.11
IUPAC Name1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene
SMILESC=Cc1ccc(CCCCc2ccc(-c3ccc(Br)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H25Br/c1-2-21-11-13-22(14-12-21)7-3-4-8-23-17-20-27(24-15-18-25(29)19-16-24)28-10-6-5-9-26(23)28/h2,5-6,9-20H,1,3-4,7-8H2
InChIKeyGCDJYSJRVSKQNN-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1-bromo-2-[5-(4-bromophenyl)pentyl]benzene
CID 173152219
3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline
CID 159021758
1-bromo-4-ethenylbenzene;prop-2-enylbenzene
CID 162084429
9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene
CID 158287393
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene
CID 91200175
1-(5-bromopentyl)-4-ethenylnaphthalene
CID 139944501
1-bromo-4-ethenylbenzene;ethane
CID 144688744
3-(4-ethenylphenyl)propane-1-thiol
CID 59552728

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene?
The IUPAC name of 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene (CID 142742547) is 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene.
What is the SMILES notation for 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene?
The canonical SMILES for 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene is C=Cc1ccc(CCCCc2ccc(-c3ccc(Br)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene?
The InChIKey is GCDJYSJRVSKQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Br/c1-2-21-11-13-22(14-12-21)7-3-4-8-23-17-20-27(24-15-18-25(29)19-16-24)28-10-6-5-9-26(23)28/h2,5-6,9-20H,1,3-4,7-8H2.
What are the key properties of 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene?
1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene has a molecular weight of 441.41 g/mol, XLogP of 8.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene is sourced from PubChem (CID 142742547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).