5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene

C18H12Br2S4 — CID 53343973

IUPAC5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene
SMILESCc1cc(Br)sc1-c1ccc(-c2ccc(-c3sc(Br)cc3C)s2)s1
InChIInChI=1S/C18H12Br2S4/c1-9-7-15(19)23-17(9)13-5-3-11(21-13)12-4-6-14(22-12)18-10(2)8-16(20)24-18/h3-8H,1-2H3
InChIKeyDIHBWUZTPVYVHJ-UHFFFAOYSA-N
MW516.37 g/mol
LogP9.08
Rot. Bonds3

About 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene

5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene (PubChem CID 53343973) has the molecular formula C18H12Br2S4 and a molecular weight of 516.37 g/mol. Its IUPAC name is 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene.

Molecular Properties

Compound Name5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene
PubChem CID53343973
Molecular FormulaC18H12Br2S4
Molecular Weight516.37 g/mol
Exact Mass513.82
IUPAC Name5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene
SMILESCc1cc(Br)sc1-c1ccc(-c2ccc(-c3sc(Br)cc3C)s2)s1
InChIInChI=1S/C18H12Br2S4/c1-9-7-15(19)23-17(9)13-5-3-11(21-13)12-4-6-14(22-12)18-10(2)8-16(20)24-18/h3-8H,1-2H3
InChIKeyDIHBWUZTPVYVHJ-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.37
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene 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 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene?
The IUPAC name of 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene (CID 53343973) is 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene.
What is the SMILES notation for 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene?
The canonical SMILES for 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene is Cc1cc(Br)sc1-c1ccc(-c2ccc(-c3sc(Br)cc3C)s2)s1.
What is the InChIKey of 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene?
The InChIKey is DIHBWUZTPVYVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2S4/c1-9-7-15(19)23-17(9)13-5-3-11(21-13)12-4-6-14(22-12)18-10(2)8-16(20)24-18/h3-8H,1-2H3.
What are the key properties of 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene?
5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene has a molecular weight of 516.37 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[5-[5-(5-bromo-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-methylthiophene is sourced from PubChem (CID 53343973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).