2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole

C40H38S6 — CID 143769792

IUPAC2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole
SMILESCCCc1c(CCC)c2sc(-c3ccc(-c4ccc(-c5cc6c(s5)c(CCC)c(CCC)c5sccc56)s4)s3)cc2c2ccsc12
InChIInChI=1S/C40H38S6/c1-5-9-23-25(11-7-3)39-29(27-17-19-41-37(23)27)21-35(45-39)33-15-13-31(43-33)32-14-16-34(44-32)36-22-30-28-18-20-42-38(28)24(10-6-2)26(12-8-4)40(30)46-36/h13-22H,5-12H2,1-4H3
InChIKeyUOUMMVNANPIKJH-UHFFFAOYSA-N
MW711.15 g/mol
LogP15.48
Rot. Bonds11

About 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole

2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole (PubChem CID 143769792) has the molecular formula C40H38S6 and a molecular weight of 711.15 g/mol. Its IUPAC name is 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole.

Molecular Properties

Compound Name2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole
PubChem CID143769792
Molecular FormulaC40H38S6
Molecular Weight711.15 g/mol
Exact Mass710.13
IUPAC Name2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole
SMILESCCCc1c(CCC)c2sc(-c3ccc(-c4ccc(-c5cc6c(s5)c(CCC)c(CCC)c5sccc56)s4)s3)cc2c2ccsc12
InChIInChI=1S/C40H38S6/c1-5-9-23-25(11-7-3)39-29(27-17-19-41-37(23)27)21-35(45-39)33-15-13-31(43-33)32-14-16-34(44-32)36-22-30-28-18-20-42-38(28)24(10-6-2)26(12-8-4)40(30)46-36/h13-22H,5-12H2,1-4H3
InChIKeyUOUMMVNANPIKJH-UHFFFAOYSA-N
XLogP15.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.15
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole?
The IUPAC name of 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole (CID 143769792) is 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole.
What is the SMILES notation for 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole?
The canonical SMILES for 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole is CCCc1c(CCC)c2sc(-c3ccc(-c4ccc(-c5cc6c(s5)c(CCC)c(CCC)c5sccc56)s4)s3)cc2c2ccsc12.
What is the InChIKey of 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole?
The InChIKey is UOUMMVNANPIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38S6/c1-5-9-23-25(11-7-3)39-29(27-17-19-41-37(23)27)21-35(45-39)33-15-13-31(43-33)32-14-16-34(44-32)36-22-30-28-18-20-42-38(28)24(10-6-2)26(12-8-4)40(30)46-36/h13-22H,5-12H2,1-4H3.
What are the key properties of 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole?
2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole has a molecular weight of 711.15 g/mol, XLogP of 15.48, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole is sourced from PubChem (CID 143769792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).