2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole

C38H22S4 — CID 134595225

IUPAC2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole
SMILESc1ccc(-c2c3cc(-c4scc5ccccc45)sc3c(-c3ccccc3)c3cc(-c4scc5ccccc45)sc23)cc1
InChIInChI=1S/C38H22S4/c1-3-11-23(12-4-1)33-29-19-31(35-27-17-9-7-15-25(27)21-39-35)42-38(29)34(24-13-5-2-6-14-24)30-20-32(41-37(30)33)36-28-18-10-8-16-26(28)22-40-36/h1-22H
InChIKeyMXUTYYINVORLRL-UHFFFAOYSA-N
MW606.86 g/mol
LogP13.21
Rot. Bonds4

About 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole

2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole (PubChem CID 134595225) has the molecular formula C38H22S4 and a molecular weight of 606.86 g/mol. Its IUPAC name is 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole.

Molecular Properties

Compound Name2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole
PubChem CID134595225
Molecular FormulaC38H22S4
Molecular Weight606.86 g/mol
Exact Mass606.06
IUPAC Name2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole
SMILESc1ccc(-c2c3cc(-c4scc5ccccc45)sc3c(-c3ccccc3)c3cc(-c4scc5ccccc45)sc23)cc1
InChIInChI=1S/C38H22S4/c1-3-11-23(12-4-1)33-29-19-31(35-27-17-9-7-15-25(27)21-39-35)42-38(29)34(24-13-5-2-6-14-24)30-20-32(41-37(30)33)36-28-18-10-8-16-26(28)22-40-36/h1-22H
InChIKeyMXUTYYINVORLRL-UHFFFAOYSA-N
XLogP13.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.86
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole with MolForge

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Related Compounds

2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134595214
2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole
CID 102170706
2,7-bis(2-methylphenyl)-4,5-diphenylthieno[3,2-e][1]benzothiole
CID 102086315
4-[3-(4,8-diphenylthieno[2,3-f][1]benzothiol-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 134587733
[7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane
CID 102400721
2-(3,5-diisocyanophenyl)-4,8-diphenylthieno[2,3-f][1]benzothiole
CID 140876335
2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
CID 23626359
2-(2,4-diphenylthiophen-3-yl)-1-benzothiophene
CID 173096883
2-[4-[4,8-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[2,3-f][1]benzothiol-6-yl]phenyl]-1-phenylbenzimidazole
CID 134595234
6-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole
CID 122426050
4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole
CID 122373287
1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene
CID 156552741

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole?
The IUPAC name of 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole (CID 134595225) is 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole.
What is the SMILES notation for 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole?
The canonical SMILES for 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole is c1ccc(-c2c3cc(-c4scc5ccccc45)sc3c(-c3ccccc3)c3cc(-c4scc5ccccc45)sc23)cc1.
What is the InChIKey of 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole?
The InChIKey is MXUTYYINVORLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22S4/c1-3-11-23(12-4-1)33-29-19-31(35-27-17-9-7-15-25(27)21-39-35)42-38(29)34(24-13-5-2-6-14-24)30-20-32(41-37(30)33)36-28-18-10-8-16-26(28)22-40-36/h1-22H.
What are the key properties of 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole?
2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole has a molecular weight of 606.86 g/mol, XLogP of 13.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole is sourced from PubChem (CID 134595225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).