3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene

C113H141N3S11Se — CID 159870975

About 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene

3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene (PubChem CID 159870975) has the molecular formula C113H141N3S11Se and a molecular weight of 1973.09 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene.

Molecular Properties

• Compound Name: 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene
• PubChem CID: 159870975
• Molecular Formula: C113H141N3S11Se
• Molecular Weight: 1973.09 g/mol
• Exact Mass: 1971.72
• IUPAC Name: 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene
• SMILES: Cc1c(C)c(C)c2c(C)[se]c(C)c2c1C.Cc1c(C)c(C)c2c(C)sc(C)c2c1C.Cc1c(C)c(C)c2c(nc(C)n2C)c1C.Cc1nc2c(C)c(C)c(C)c(C)c2s1.Cc1sc(-c2sc(-c3sc(-c4sc(C)c(C)c4C)c(C)c3C)c(C)c2C)c(C)c1C.Cc1sc(-c2sc(-c3sc(C)c(C)c3C)c(C)c2C)c(C)c1C.Cc1sc(-c2sc(C)c(C)c2C)c(C)c1C
• InChI: InChI=1S/C26H30S4.C20H24S3.C14H18S2.C14H18S.C14H18Se.C13H18N2.C12H15NS/c1-11-13(3)21(27-19(11)9)23-15(5)17(7)25(29-23)26-18(8)16(6)24(30-26)22-14(4)12(2)20(10)28-22;1-9-11(3)17(21-15(9)7)19-13(5)14(6)20(23-19)18-12(4)10(2)16(8)22-18;1-7-9(3)13(15-11(7)5)14-10(4)8(2)12(6)16-14;2*1-7-8(2)10(4)14-12(6)15-11(5)13(14)9(7)3;1-7-8(2)10(4)13-12(9(7)3)14-11(5)15(13)6;1-6-7(2)9(4)12-11(8(6)3)13-10(5)14-12/h1-10H3;1-8H3;1-6H3;3*1-6H3;1-5H3
• InChIKey: NSIKJXVLIBJMTE-UHFFFAOYSA-N
• XLogP: 38.47
• TPSA: 30.71 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.09
LogP ≤ 5	38.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene?

The IUPAC name of 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene (CID 159870975) is 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene.

What is the SMILES notation for 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene?

The canonical SMILES for 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene is Cc1c(C)c(C)c2c(C)[se]c(C)c2c1C.Cc1c(C)c(C)c2c(C)sc(C)c2c1C.Cc1c(C)c(C)c2c(nc(C)n2C)c1C.Cc1nc2c(C)c(C)c(C)c(C)c2s1.Cc1sc(-c2sc(-c3sc(-c4sc(C)c(C)c4C)c(C)c3C)c(C)c2C)c(C)c1C.Cc1sc(-c2sc(-c3sc(C)c(C)c3C)c(C)c2C)c(C)c1C.Cc1sc(-c2sc(C)c(C)c2C)c(C)c1C.

What is the InChIKey of 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene?

The InChIKey is NSIKJXVLIBJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30S4.C20H24S3.C14H18S2.C14H18S.C14H18Se.C13H18N2.C12H15NS/c1-11-13(3)21(27-19(11)9)23-15(5)17(7)25(29-23)26-18(8)16(6)24(30-26)22-14(4)12(2)20(10)28-22;1-9-11(3)17(21-15(9)7)19-13(5)14(6)20(23-19)18-12(4)10(2)16(8)22-18;1-7-9(3)13(15-11(7)5)14-10(4)8(2)12(6)16-14;2*1-7-8(2)10(4)14-12(6)15-11(5)13(14)9(7)3;1-7-8(2)10(4)13-12(9(7)3)14-11(5)15(13)6;1-6-7(2)9(4)12-11(8(6)3)13-10(5)14-12/h1-10H3;1-8H3;1-6H3;3*1-6H3;1-5H3.

What are the key properties of 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene?

3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene has a molecular weight of 1973.09 g/mol, XLogP of 38.47, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene is sourced from PubChem (CID 159870975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).