3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene

C30H26O4S6 — CID 10794234

About 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene

3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene (PubChem CID 10794234) has the molecular formula C30H26O4S6 and a molecular weight of 642.94 g/mol. Its IUPAC name is 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene.

Molecular Properties

• Compound Name: 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
• PubChem CID: 10794234
• Molecular Formula: C30H26O4S6
• Molecular Weight: 642.94 g/mol
• Exact Mass: 642.02
• IUPAC Name: 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
• SMILES: COc1cc(C)sc1-c1ccc(-c2sc(-c3cc(OC)c(-c4ccc(-c5sc(C)cc5OC)s4)s3)cc2OC)s1
• InChI: InChI=1S/C30H26O4S6/c1-15-11-17(31-3)27(35-15)21-7-9-23(37-21)29-19(33-5)13-25(39-29)26-14-20(34-6)30(40-26)24-10-8-22(38-24)28-18(32-4)12-16(2)36-28/h7-14H,1-6H3
• InChIKey: JEFVKGSYCQOWQI-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 36.92 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.94
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene?

The IUPAC name of 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene (CID 10794234) is 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene.

What is the SMILES notation for 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene?

The canonical SMILES for 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene is COc1cc(C)sc1-c1ccc(-c2sc(-c3cc(OC)c(-c4ccc(-c5sc(C)cc5OC)s4)s3)cc2OC)s1.

What is the InChIKey of 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene?

The InChIKey is JEFVKGSYCQOWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O4S6/c1-15-11-17(31-3)27(35-15)21-7-9-23(37-21)29-19(33-5)13-25(39-29)26-14-20(34-6)30(40-26)24-10-8-22(38-24)28-18(32-4)12-16(2)36-28/h7-14H,1-6H3.

What are the key properties of 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene?

3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene has a molecular weight of 642.94 g/mol, XLogP of 11.04, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene is sourced from PubChem (CID 10794234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).