2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene

C24H14S6 — CID 18755891

IUPAC2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene
SMILESc1csc(-c2ccsc2-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1
InChIInChI=1S/C24H14S6/c1-5-16(25-10-1)15-9-14-29-22(15)24-21(18-7-3-12-27-18)20(17-6-2-11-26-17)23(30-24)19-8-4-13-28-19/h1-14H
InChIKeyOXEMIMMMXGYMAG-UHFFFAOYSA-N
MW494.78 g/mol
LogP10.39
Rot. Bonds5

About 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene

2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene (PubChem CID 18755891) has the molecular formula C24H14S6 and a molecular weight of 494.78 g/mol. Its IUPAC name is 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene
PubChem CID18755891
Molecular FormulaC24H14S6
Molecular Weight494.78 g/mol
Exact Mass493.94
IUPAC Name2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene
SMILESc1csc(-c2ccsc2-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1
InChIInChI=1S/C24H14S6/c1-5-16(25-10-1)15-9-14-29-22(15)24-21(18-7-3-12-27-18)20(17-6-2-11-26-17)23(30-24)19-8-4-13-28-19/h1-14H
InChIKeyOXEMIMMMXGYMAG-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.78
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene (CID 18755891) is 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene is c1csc(-c2ccsc2-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1.
What is the InChIKey of 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene?
The InChIKey is OXEMIMMMXGYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14S6/c1-5-16(25-10-1)15-9-14-29-22(15)24-21(18-7-3-12-27-18)20(17-6-2-11-26-17)23(30-24)19-8-4-13-28-19/h1-14H.
What are the key properties of 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene?
2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene has a molecular weight of 494.78 g/mol, XLogP of 10.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trithiophen-2-yl-5-(3-thiophen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 18755891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).