2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene

C30H22S5 — CID 72543240

IUPAC2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene
SMILESCc1ccc(C=Cc2cc3sc(Sc4cc5sc(C=Cc6ccc(C)cc6)cc5s4)cc3s2)cc1
InChIInChI=1S/C30H22S5/c1-19-3-7-21(8-4-19)11-13-23-15-25-27(31-23)17-29(33-25)35-30-18-28-26(34-30)16-24(32-28)14-12-22-9-5-20(2)6-10-22/h3-18H,1-2H3
InChIKeyBPKLSYHAZDKNQT-UHFFFAOYSA-N
MW542.84 g/mol
LogP11.35
Rot. Bonds6

About 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene

2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene (PubChem CID 72543240) has the molecular formula C30H22S5 and a molecular weight of 542.84 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene
PubChem CID72543240
Molecular FormulaC30H22S5
Molecular Weight542.84 g/mol
Exact Mass542.03
IUPAC Name2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene
SMILESCc1ccc(C=Cc2cc3sc(Sc4cc5sc(C=Cc6ccc(C)cc6)cc5s4)cc3s2)cc1
InChIInChI=1S/C30H22S5/c1-19-3-7-21(8-4-19)11-13-23-15-25-27(31-23)17-29(33-25)35-30-18-28-26(34-30)16-24(32-28)14-12-22-9-5-20(2)6-10-22/h3-18H,1-2H3
InChIKeyBPKLSYHAZDKNQT-UHFFFAOYSA-N
XLogP11.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.84
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene 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
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
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
2,6-bis[3-methyl-5-[2-(4-methylphenyl)ethenyl]thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 59745437
2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene
CID 72543299
3,7-bis[2-(4-methylphenyl)ethenyl]dibenzothiophene;ethane
CID 90685412
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
1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 141387094
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene?
The IUPAC name of 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) is 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene?
The canonical SMILES for 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene is Cc1ccc(C=Cc2cc3sc(Sc4cc5sc(C=Cc6ccc(C)cc6)cc5s4)cc3s2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene?
The InChIKey is BPKLSYHAZDKNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22S5/c1-19-3-7-21(8-4-19)11-13-23-15-25-27(31-23)17-29(33-25)35-30-18-28-26(34-30)16-24(32-28)14-12-22-9-5-20(2)6-10-22/h3-18H,1-2H3.
What are the key properties of 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene?
2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene has a molecular weight of 542.84 g/mol, XLogP of 11.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene is sourced from PubChem (CID 72543240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).