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

C32H18S8 — CID 54358216

IUPAC2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene
SMILESc1csc(-c2sc(-c3sc(-c4cccs4)c(-c4cccs4)c3-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1
InChIInChI=1S/C32H18S8/c1-7-19(33-13-1)25-27(21-9-3-15-35-21)31(39-29(25)23-11-5-17-37-23)32-28(22-10-4-16-36-22)26(20-8-2-14-34-20)30(40-32)24-12-6-18-38-24/h1-18H
InChIKeyUKPXWKXYMMRTGO-UHFFFAOYSA-N
MW659.03 g/mol
LogP13.85
Rot. Bonds7

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

2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene (PubChem CID 54358216) has the molecular formula C32H18S8 and a molecular weight of 659.03 g/mol. Its IUPAC name is 2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene
PubChem CID54358216
Molecular FormulaC32H18S8
Molecular Weight659.03 g/mol
Exact Mass657.92
IUPAC Name2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene
SMILESc1csc(-c2sc(-c3sc(-c4cccs4)c(-c4cccs4)c3-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1
InChIInChI=1S/C32H18S8/c1-7-19(33-13-1)25-27(21-9-3-15-35-21)31(39-29(25)23-11-5-17-37-23)32-28(22-10-4-16-36-22)26(20-8-2-14-34-20)30(40-32)24-12-6-18-38-24/h1-18H
InChIKeyUKPXWKXYMMRTGO-UHFFFAOYSA-N
XLogP13.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.03
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene (CID 54358216) is 2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene is c1csc(-c2sc(-c3sc(-c4cccs4)c(-c4cccs4)c3-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1.
What is the InChIKey of 2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene?
The InChIKey is UKPXWKXYMMRTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18S8/c1-7-19(33-13-1)25-27(21-9-3-15-35-21)31(39-29(25)23-11-5-17-37-23)32-28(22-10-4-16-36-22)26(20-8-2-14-34-20)30(40-32)24-12-6-18-38-24/h1-18H.
What are the key properties of 2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene?
2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene has a molecular weight of 659.03 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trithiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 54358216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).