2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid

C30H22O4S2 — CID 58224385

IUPAC2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid
SMILESCc1ccc(-c2ccc(-c3cc(C(=O)O)c(-c4ccc(-c5ccc(C)cc5)s4)cc3C(=O)O)s2)cc1
InChIInChI=1S/C30H22O4S2/c1-17-3-7-19(8-4-17)25-11-13-27(35-25)21-15-24(30(33)34)22(16-23(21)29(31)32)28-14-12-26(36-28)20-9-5-18(2)6-10-20/h3-16H,1-2H3,(H,31,32)(H,33,34)
InChIKeyUMYAEUASDLZHCP-UHFFFAOYSA-N
MW510.64 g/mol
LogP8.49
Rot. Bonds6

About 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid

2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid (PubChem CID 58224385) has the molecular formula C30H22O4S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid.

Molecular Properties

Compound Name2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid
PubChem CID58224385
Molecular FormulaC30H22O4S2
Molecular Weight510.64 g/mol
Exact Mass510.10
IUPAC Name2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid
SMILESCc1ccc(-c2ccc(-c3cc(C(=O)O)c(-c4ccc(-c5ccc(C)cc5)s4)cc3C(=O)O)s2)cc1
InChIInChI=1S/C30H22O4S2/c1-17-3-7-19(8-4-17)25-11-13-27(35-25)21-15-24(30(33)34)22(16-23(21)29(31)32)28-14-12-26(36-28)20-9-5-18(2)6-10-20/h3-16H,1-2H3,(H,31,32)(H,33,34)
InChIKeyUMYAEUASDLZHCP-UHFFFAOYSA-N
XLogP8.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(4-aminocyclohexa-1,5-dien-1-yl)thiophen-2-yl]-5-[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid
CID 143844026
2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid
CID 143843970
4-[5-[5-(4-carboxyphenyl)thiophen-2-yl]thiophen-2-yl]benzoic acid
CID 53472843
2,5-bis[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]terephthalic acid;2,5-dimethyl-3,6-bis[5-(5-methyl-1-benzothiophen-2-yl)thiophen-2-yl]terephthalic acid
CID 158430750
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
CID 172914061
3,4,5-tris(4-methylphenyl)phthalic acid
CID 19903031
5-methyl-2-thiophen-3-ylbenzoic acid
CID 53224821
2-chloro-5-(4-methylphenyl)pyridine-4-carboxylic acid
CID 53222532
2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol
CID 174853056
3-(4-methylphenyl)thiophene-2,5-dicarboxylic acid
CID 163904619
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid?
The IUPAC name of 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid (CID 58224385) is 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid.
What is the SMILES notation for 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid?
The canonical SMILES for 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid is Cc1ccc(-c2ccc(-c3cc(C(=O)O)c(-c4ccc(-c5ccc(C)cc5)s4)cc3C(=O)O)s2)cc1.
What is the InChIKey of 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid?
The InChIKey is UMYAEUASDLZHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O4S2/c1-17-3-7-19(8-4-17)25-11-13-27(35-25)21-15-24(30(33)34)22(16-23(21)29(31)32)28-14-12-26(36-28)20-9-5-18(2)6-10-20/h3-16H,1-2H3,(H,31,32)(H,33,34).
What are the key properties of 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid?
2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid has a molecular weight of 510.64 g/mol, XLogP of 8.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid is sourced from PubChem (CID 58224385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).