2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene

C31H18S8 — CID 144628300

IUPAC2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene
SMILESCc1ccc(-c2cc3sc(-c4ccc(/C=C/c5ccc(-c6cc7sc(-c8cccs8)cc7s6)s5)s4)cc3s2)s1
InChIInChI=1S/C31H18S8/c1-17-4-9-21(33-17)25-14-30-31(37-25)16-27(39-30)23-11-8-19(35-23)6-5-18-7-10-22(34-18)26-15-29-28(38-26)13-24(36-29)20-3-2-12-32-20/h2-16H,1H3/b6-5+
InChIKeyOPUAKABYWKVIBJ-AATRIKPKSA-N
MW647.02 g/mol
LogP13.63
Rot. Bonds6

About 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene

2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene (PubChem CID 144628300) has the molecular formula C31H18S8 and a molecular weight of 647.02 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene
PubChem CID144628300
Molecular FormulaC31H18S8
Molecular Weight647.02 g/mol
Exact Mass645.92
IUPAC Name2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene
SMILESCc1ccc(-c2cc3sc(-c4ccc(/C=C/c5ccc(-c6cc7sc(-c8cccs8)cc7s6)s5)s4)cc3s2)s1
InChIInChI=1S/C31H18S8/c1-17-4-9-21(33-17)25-14-30-31(37-25)16-27(39-30)23-11-8-19(35-23)6-5-18-7-10-22(34-18)26-15-29-28(38-26)13-24(36-29)20-3-2-12-32-20/h2-16H,1H3/b6-5+
InChIKeyOPUAKABYWKVIBJ-AATRIKPKSA-N
XLogP13.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.02
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene with MolForge

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Related Compounds

2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
2-prop-1-enyl-5-thiophen-2-ylthiophene
CID 54395841
2-[(Z)-prop-1-enyl]-5-thiophen-2-ylthiophene
CID 67628912
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline
CID 66867019
2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 166512368
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
CID 169479932
2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane
CID 143976151
2-(5-prop-1-enylthiophen-2-yl)-7-thiophen-2-yl-[1]benzothiolo[3,2-b][1]benzothiole
CID 121420301

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene?
The IUPAC name of 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene (CID 144628300) is 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene is Cc1ccc(-c2cc3sc(-c4ccc(/C=C/c5ccc(-c6cc7sc(-c8cccs8)cc7s6)s5)s4)cc3s2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene?
The InChIKey is OPUAKABYWKVIBJ-AATRIKPKSA-N. The full InChI is InChI=1S/C31H18S8/c1-17-4-9-21(33-17)25-14-30-31(37-25)16-27(39-30)23-11-8-19(35-23)6-5-18-7-10-22(34-18)26-15-29-28(38-26)13-24(36-29)20-3-2-12-32-20/h2-16H,1H3/b6-5+.
What are the key properties of 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene?
2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene has a molecular weight of 647.02 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene is sourced from PubChem (CID 144628300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).