3-bromo-4-methyl-2,5-diphenylthiophene

C17H13BrS — CID 89479588

IUPAC3-bromo-4-methyl-2,5-diphenylthiophene
SMILESCc1c(-c2ccccc2)sc(-c2ccccc2)c1Br
InChIInChI=1S/C17H13BrS/c1-12-15(18)17(14-10-6-3-7-11-14)19-16(12)13-8-4-2-5-9-13/h2-11H,1H3
InChIKeyWJJHHXYNFWKEBF-UHFFFAOYSA-N
MW329.26 g/mol
LogP6.15
Rot. Bonds2

About 3-bromo-4-methyl-2,5-diphenylthiophene

3-bromo-4-methyl-2,5-diphenylthiophene (PubChem CID 89479588) has the molecular formula C17H13BrS and a molecular weight of 329.26 g/mol. Its IUPAC name is 3-bromo-4-methyl-2,5-diphenylthiophene.

Molecular Properties

Compound Name3-bromo-4-methyl-2,5-diphenylthiophene
PubChem CID89479588
Molecular FormulaC17H13BrS
Molecular Weight329.26 g/mol
Exact Mass327.99
IUPAC Name3-bromo-4-methyl-2,5-diphenylthiophene
SMILESCc1c(-c2ccccc2)sc(-c2ccccc2)c1Br
InChIInChI=1S/C17H13BrS/c1-12-15(18)17(14-10-6-3-7-11-14)19-16(12)13-8-4-2-5-9-13/h2-11H,1H3
InChIKeyWJJHHXYNFWKEBF-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

2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene
CID 86098596
4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
CID 86098601
4-bromo-2-methyl-5-phenyl-1,3-thiazole
CID 86189921
2-chloro-4-methyl-5-phenylthiophen-3-amine
CID 114749336
2-fluoro-4-methyl-5-phenylthiophen-3-ol
CID 70965990
3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene
CID 23631078
4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 177405834
4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
CID 130090867
N-[4-[5-[4-(N-[4-[4-[4-[4-(N-[4-[3,4-diethyl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]-3,4-dimethylthiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 123148058
4-bromo-2,6-dimethyl-3,5-diphenylpyridine
CID 134973959
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2,5-diphenylthiophene?
The IUPAC name of 3-bromo-4-methyl-2,5-diphenylthiophene (CID 89479588) is 3-bromo-4-methyl-2,5-diphenylthiophene.
What is the SMILES notation for 3-bromo-4-methyl-2,5-diphenylthiophene?
The canonical SMILES for 3-bromo-4-methyl-2,5-diphenylthiophene is Cc1c(-c2ccccc2)sc(-c2ccccc2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2,5-diphenylthiophene?
The InChIKey is WJJHHXYNFWKEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrS/c1-12-15(18)17(14-10-6-3-7-11-14)19-16(12)13-8-4-2-5-9-13/h2-11H,1H3.
What are the key properties of 3-bromo-4-methyl-2,5-diphenylthiophene?
3-bromo-4-methyl-2,5-diphenylthiophene 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 3-bromo-4-methyl-2,5-diphenylthiophene is sourced from PubChem (CID 89479588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).