6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole

C38H26S5 — CID 72543249

IUPAC6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole
SMILESCc1ccc(C=Cc2cc3cc4sc(Sc5cc6cc7sc(C=Cc8ccc(C)cc8)cc7cc6s5)cc4cc3s2)cc1
InChIInChI=1S/C38H26S5/c1-23-3-7-25(8-4-23)11-13-31-15-27-17-35-29(19-33(27)39-31)21-37(41-35)43-38-22-30-20-34-28(18-36(30)42-38)16-32(40-34)14-12-26-9-5-24(2)6-10-26/h3-22H,1-2H3
InChIKeyDUZVCQZWFYYVNL-UHFFFAOYSA-N
MW642.96 g/mol
LogP13.65
Rot. Bonds6

About 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole

6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole (PubChem CID 72543249) has the molecular formula C38H26S5 and a molecular weight of 642.96 g/mol. Its IUPAC name is 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole.

Molecular Properties

Compound Name6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole
PubChem CID72543249
Molecular FormulaC38H26S5
Molecular Weight642.96 g/mol
Exact Mass642.06
IUPAC Name6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole
SMILESCc1ccc(C=Cc2cc3cc4sc(Sc5cc6cc7sc(C=Cc8ccc(C)cc8)cc7cc6s5)cc4cc3s2)cc1
InChIInChI=1S/C38H26S5/c1-23-3-7-25(8-4-23)11-13-31-15-27-17-35-29(19-33(27)39-31)21-37(41-35)43-38-22-30-20-34-28(18-36(30)42-38)16-32(40-34)14-12-26-9-5-24(2)6-10-26/h3-22H,1-2H3
InChIKeyDUZVCQZWFYYVNL-UHFFFAOYSA-N
XLogP13.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.96
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole with MolForge

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Related Compounds

6-[(E)-2-(4-methylphenyl)ethenyl]-2-[6-[(E)-2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole
CID 59155987
2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene
CID 72543240
2,6-bis[3-methyl-5-[2-(4-methylphenyl)ethenyl]thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 59745437
7-[(E)-2-(4-hexylphenyl)ethenyl]-17-[(E)-2-(4-methylphenyl)ethenyl]-6,18-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,16,19-nonaene
CID 89302627
7,17-bis(2-tetracen-2-ylethenyl)-6,18-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),16-nonaene
CID 76589926
2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene
CID 72543299
2-(4-methylphenyl)sulfanyl-1-benzothiophene
CID 134891207
2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene
CID 102027046
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
3,7-bis[2-(4-methylphenyl)ethenyl]dibenzothiophene;ethane
CID 90685412
4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine
CID 5160129

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole?
The IUPAC name of 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole (CID 72543249) is 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole.
What is the SMILES notation for 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole?
The canonical SMILES for 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole is Cc1ccc(C=Cc2cc3cc4sc(Sc5cc6cc7sc(C=Cc8ccc(C)cc8)cc7cc6s5)cc4cc3s2)cc1.
What is the InChIKey of 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole?
The InChIKey is DUZVCQZWFYYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26S5/c1-23-3-7-25(8-4-23)11-13-31-15-27-17-35-29(19-33(27)39-31)21-37(41-35)43-38-22-30-20-34-28(18-36(30)42-38)16-32(40-34)14-12-26-9-5-24(2)6-10-26/h3-22H,1-2H3.
What are the key properties of 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole?
6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole has a molecular weight of 642.96 g/mol, XLogP of 13.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole is sourced from PubChem (CID 72543249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).