2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene

C42H52O6S3 — CID 169014038

About 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene

2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene (PubChem CID 169014038) has the molecular formula C42H52O6S3 and a molecular weight of 749.07 g/mol. Its IUPAC name is 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene.

Molecular Properties

• Compound Name: 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene
• PubChem CID: 169014038
• Molecular Formula: C42H52O6S3
• Molecular Weight: 749.07 g/mol
• Exact Mass: 748.29
• IUPAC Name: 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene
• SMILES: COCCOCCOc1ccc(C)cc1-c1cc(-c2sc(-c3sc(-c4sc(C)c(C)c4C)c(C)c3C)c(C)c2C)ccc1OCCOCCOC
• InChI: InChI=1S/C42H52O6S3/c1-25-11-13-36(47-21-19-45-17-15-43-9)34(23-25)35-24-33(12-14-37(35)48-22-20-46-18-16-44-10)38-28(4)29(5)41(50-38)42-31(7)30(6)40(51-42)39-27(3)26(2)32(8)49-39/h11-14,23-24H,15-22H2,1-10H3
• InChIKey: FIYGLCOXGWQNIQ-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 55.38 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.07
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene?

The IUPAC name of 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene (CID 169014038) is 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene.

What is the SMILES notation for 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene?

The canonical SMILES for 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene is COCCOCCOc1ccc(C)cc1-c1cc(-c2sc(-c3sc(-c4sc(C)c(C)c4C)c(C)c3C)c(C)c2C)ccc1OCCOCCOC.

What is the InChIKey of 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene?

The InChIKey is FIYGLCOXGWQNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52O6S3/c1-25-11-13-36(47-21-19-45-17-15-43-9)34(23-25)35-24-33(12-14-37(35)48-22-20-46-18-16-44-10)38-28(4)29(5)41(50-38)42-31(7)30(6)40(51-42)39-27(3)26(2)32(8)49-39/h11-14,23-24H,15-22H2,1-10H3.

What are the key properties of 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene?

2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene has a molecular weight of 749.07 g/mol, XLogP of 11.09, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene is sourced from PubChem (CID 169014038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).