3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene

C28H23BrS3 — CID 23631078

IUPAC3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)c(C)c1-c1cc(Br)sc1-c1c(C)sc(-c2ccccc2)c1C
InChIInChI=1S/C28H23BrS3/c1-16-24(18(3)30-26(16)20-11-7-5-8-12-20)22-15-23(29)32-28(22)25-17(2)27(31-19(25)4)21-13-9-6-10-14-21/h5-15H,1-4H3
InChIKeyYTPCQUVROQYOQT-UHFFFAOYSA-N
MW535.60 g/mol
LogP10.54
Rot. Bonds4

About 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene

3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene (PubChem CID 23631078) has the molecular formula C28H23BrS3 and a molecular weight of 535.60 g/mol. Its IUPAC name is 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene.

Molecular Properties

Compound Name3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene
PubChem CID23631078
Molecular FormulaC28H23BrS3
Molecular Weight535.60 g/mol
Exact Mass534.01
IUPAC Name3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)c(C)c1-c1cc(Br)sc1-c1c(C)sc(-c2ccccc2)c1C
InChIInChI=1S/C28H23BrS3/c1-16-24(18(3)30-26(16)20-11-7-5-8-12-20)22-15-23(29)32-28(22)25-17(2)27(31-19(25)4)21-13-9-6-10-14-21/h5-15H,1-4H3
InChIKeyYTPCQUVROQYOQT-UHFFFAOYSA-N
XLogP10.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.60
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene?
The IUPAC name of 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene (CID 23631078) is 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene.
What is the SMILES notation for 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene?
The canonical SMILES for 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene is Cc1sc(-c2ccccc2)c(C)c1-c1cc(Br)sc1-c1c(C)sc(-c2ccccc2)c1C.
What is the InChIKey of 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene?
The InChIKey is YTPCQUVROQYOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrS3/c1-16-24(18(3)30-26(16)20-11-7-5-8-12-20)22-15-23(29)32-28(22)25-17(2)27(31-19(25)4)21-13-9-6-10-14-21/h5-15H,1-4H3.
What are the key properties of 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene?
3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene has a molecular weight of 535.60 g/mol, XLogP of 10.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene is sourced from PubChem (CID 23631078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).