2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene

C27H21Br — CID 78128169

IUPAC2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)cc1C=Cc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C27H21Br/c1-20-12-13-25(21-8-4-2-5-9-21)18-24(20)16-14-23-15-17-26(19-27(23)28)22-10-6-3-7-11-22/h2-19H,1H3
InChIKeyIIOZCEUTPBHYGX-UHFFFAOYSA-N
MW425.37 g/mol
LogP8.26
Rot. Bonds4

About 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene

2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene (PubChem CID 78128169) has the molecular formula C27H21Br and a molecular weight of 425.37 g/mol. Its IUPAC name is 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene.

Molecular Properties

Compound Name2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene
PubChem CID78128169
Molecular FormulaC27H21Br
Molecular Weight425.37 g/mol
Exact Mass424.08
IUPAC Name2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)cc1C=Cc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C27H21Br/c1-20-12-13-25(21-8-4-2-5-9-21)18-24(20)16-14-23-15-17-26(19-27(23)28)22-10-6-3-7-11-22/h2-19H,1H3
InChIKeyIIOZCEUTPBHYGX-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.37
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,10-Dibromoanthracene
CID 68226
6-Bromobenzo(a)pyrene
CID 30545
9-Bromophenanthrene
CID 11309
9-Bromoanthracene
CID 74062
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
7-(Bromomethyl)-12-methylbenz(a)anthracene
CID 27767
1-Bromo-2-methylnaphthalene
CID 75754
3-Bromo-1,2,4,5-tetramethylbenzene
CID 74240
1,3,5-Tri(4-bromophenyl)benzene
CID 232761
1-Bromopyrene
CID 159627
9-Bromo-10-phenyl-anthracene
CID 4155836

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene?
The IUPAC name of 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene (CID 78128169) is 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene.
What is the SMILES notation for 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene?
The canonical SMILES for 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene is Cc1ccc(-c2ccccc2)cc1C=Cc1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene?
The InChIKey is IIOZCEUTPBHYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Br/c1-20-12-13-25(21-8-4-2-5-9-21)18-24(20)16-14-23-15-17-26(19-27(23)28)22-10-6-3-7-11-22/h2-19H,1H3.
What are the key properties of 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene?
2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene has a molecular weight of 425.37 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(2-methyl-5-phenylphenyl)ethenyl]-4-phenylbenzene is sourced from PubChem (CID 78128169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).