5-(4-bromophenyl)-2-methyl-3-phenylthiophene

C17H13BrS — CID 156768567

IUPAC5-(4-bromophenyl)-2-methyl-3-phenylthiophene
SMILESCc1sc(-c2ccc(Br)cc2)cc1-c1ccccc1
InChIInChI=1S/C17H13BrS/c1-12-16(13-5-3-2-4-6-13)11-17(19-12)14-7-9-15(18)10-8-14/h2-11H,1H3
InChIKeyUJDAZOQPMLOIHY-UHFFFAOYSA-N
MW329.26 g/mol
LogP6.15
Rot. Bonds2

About 5-(4-bromophenyl)-2-methyl-3-phenylthiophene

5-(4-bromophenyl)-2-methyl-3-phenylthiophene (PubChem CID 156768567) has the molecular formula C17H13BrS and a molecular weight of 329.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-methyl-3-phenylthiophene.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-methyl-3-phenylthiophene
PubChem CID156768567
Molecular FormulaC17H13BrS
Molecular Weight329.26 g/mol
Exact Mass327.99
IUPAC Name5-(4-bromophenyl)-2-methyl-3-phenylthiophene
SMILESCc1sc(-c2ccc(Br)cc2)cc1-c1ccccc1
InChIInChI=1S/C17H13BrS/c1-12-16(13-5-3-2-4-6-13)11-17(19-12)14-7-9-15(18)10-8-14/h2-11H,1H3
InChIKeyUJDAZOQPMLOIHY-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.26
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
CID 90888254
2-(4-bromophenyl)-5-phenylthiophene
CID 10313583
[4-(4-bromophenyl)-5-methylthiophen-2-yl]hydrazine
CID 82056587
2,3-bis(2-methyl-5-phenylthiophen-3-yl)naphthalene-1,4-dione
CID 101124465
5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
CID 134393777
2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene
CID 143334929
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene
CID 59420001
3-[3,3,4,4,5,5-hexafluoro-2-[5-[5-[5-[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102279973
2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
CID 174894366
3-bromo-2-methyl-5-(4-methylphenyl)thiophene
CID 101058493
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
4-[5-methyl-4-[2-[2-methyl-5-[4-(N-phenylanilino)phenyl]thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]-N,N-diphenylaniline
CID 132501286

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-methyl-3-phenylthiophene?
The IUPAC name of 5-(4-bromophenyl)-2-methyl-3-phenylthiophene (CID 156768567) is 5-(4-bromophenyl)-2-methyl-3-phenylthiophene.
What is the SMILES notation for 5-(4-bromophenyl)-2-methyl-3-phenylthiophene?
The canonical SMILES for 5-(4-bromophenyl)-2-methyl-3-phenylthiophene is Cc1sc(-c2ccc(Br)cc2)cc1-c1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-2-methyl-3-phenylthiophene?
The InChIKey is UJDAZOQPMLOIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrS/c1-12-16(13-5-3-2-4-6-13)11-17(19-12)14-7-9-15(18)10-8-14/h2-11H,1H3.
What are the key properties of 5-(4-bromophenyl)-2-methyl-3-phenylthiophene?
5-(4-bromophenyl)-2-methyl-3-phenylthiophene has a molecular weight of 329.26 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-methyl-3-phenylthiophene is sourced from PubChem (CID 156768567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).