4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene

C28H23Br — CID 134475714

IUPAC4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene
SMILESC=C(Cc1ccc(Br)cc1-c1ccccc1C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H23Br/c1-20-9-6-7-14-27(20)28-19-26(29)16-15-25(28)17-21(2)23-12-8-13-24(18-23)22-10-4-3-5-11-22/h3-16,18-19H,2,17H2,1H3
InChIKeyKUPBLTKKARBGBJ-UHFFFAOYSA-N
MW439.40 g/mol
LogP8.35
Rot. Bonds5

About 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene

4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene (PubChem CID 134475714) has the molecular formula C28H23Br and a molecular weight of 439.40 g/mol. Its IUPAC name is 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene.

Molecular Properties

Compound Name4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene
PubChem CID134475714
Molecular FormulaC28H23Br
Molecular Weight439.40 g/mol
Exact Mass438.10
IUPAC Name4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene
SMILESC=C(Cc1ccc(Br)cc1-c1ccccc1C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H23Br/c1-20-9-6-7-14-27(20)28-19-26(29)16-15-25(28)17-21(2)23-12-8-13-24(18-23)22-10-4-3-5-11-22/h3-16,18-19H,2,17H2,1H3
InChIKeyKUPBLTKKARBGBJ-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene
CID 167179403
1-bromo-3-(3-phenylprop-1-en-2-yl)benzene
CID 174355940
2-[2-[4-bromo-2-(2-methylphenyl)phenyl]prop-2-enyl]triphenylene
CID 134476198
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
1-ethyl-2-(2-methylphenyl)benzene;(E)-3-[3-(4-methylphenyl)phenyl]-1-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
CID 143905972
2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene
CID 154595887
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene
CID 144639801
1-bromo-3-phenylbenzene;ethane
CID 163977967
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
3-[4-butyl-3-(2-methylphenyl)phenyl]phenol;toluene
CID 145003853

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene?
The IUPAC name of 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene (CID 134475714) is 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene.
What is the SMILES notation for 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene?
The canonical SMILES for 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene is C=C(Cc1ccc(Br)cc1-c1ccccc1C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene?
The InChIKey is KUPBLTKKARBGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Br/c1-20-9-6-7-14-27(20)28-19-26(29)16-15-25(28)17-21(2)23-12-8-13-24(18-23)22-10-4-3-5-11-22/h3-16,18-19H,2,17H2,1H3.
What are the key properties of 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene?
4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene has a molecular weight of 439.40 g/mol, XLogP of 8.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene is sourced from PubChem (CID 134475714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).