2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene

C22H17Br — CID 175925453

IUPAC2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene
SMILESC=Cc1ccc(-c2cccc(-c3ccc(C=C)cc3Br)c2)cc1
InChIInChI=1S/C22H17Br/c1-3-16-8-11-18(12-9-16)19-6-5-7-20(15-19)21-13-10-17(4-2)14-22(21)23/h3-15H,1-2H2
InChIKeySXOCIZJFLJKLGV-UHFFFAOYSA-N
MW361.28 g/mol
LogP7.07
Rot. Bonds4

About 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene

2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene (PubChem CID 175925453) has the molecular formula C22H17Br and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene
PubChem CID175925453
Molecular FormulaC22H17Br
Molecular Weight361.28 g/mol
Exact Mass360.05
IUPAC Name2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene
SMILESC=Cc1ccc(-c2cccc(-c3ccc(C=C)cc3Br)c2)cc1
InChIInChI=1S/C22H17Br/c1-3-16-8-11-18(12-9-16)19-6-5-7-20(15-19)21-13-10-17(4-2)14-22(21)23/h3-15H,1-2H2
InChIKeySXOCIZJFLJKLGV-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.28
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene
CID 160647587
9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene
CID 23574112
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 100913685
2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine
CID 58151656
4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene
CID 89129145
1,2,3-tris(4-ethenylphenyl)benzene
CID 154053101
1-ethenyl-3-[4-(4-ethylphenyl)phenyl]benzene
CID 174010619
1-ethenyl-2,3-diphenyl-4-(3-phenylphenyl)benzene
CID 91153178
2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89424064
3-[3-(3-ethenylphenyl)phenyl]-N-[4-[4-(N-[3-[3-(3-ethenylphenyl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 58113558
1,3,5,7-tetrakis(4-ethenylphenyl)naphthalene
CID 140790330
4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene
CID 171595464

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene?
The IUPAC name of 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene (CID 175925453) is 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene.
What is the SMILES notation for 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene?
The canonical SMILES for 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene is C=Cc1ccc(-c2cccc(-c3ccc(C=C)cc3Br)c2)cc1.
What is the InChIKey of 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene?
The InChIKey is SXOCIZJFLJKLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Br/c1-3-16-8-11-18(12-9-16)19-6-5-7-20(15-19)21-13-10-17(4-2)14-22(21)23/h3-15H,1-2H2.
What are the key properties of 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene?
2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene has a molecular weight of 361.28 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene is sourced from PubChem (CID 175925453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).