2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene

C29H20OS4 — CID 25194683

IUPAC2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
SMILESCOc1ccc(-c2cc(-c3ccc(-c4cccs4)s3)cc(-c3ccc(-c4cccs4)s3)c2)cc1
InChIInChI=1S/C29H20OS4/c1-30-23-8-6-19(7-9-23)20-16-21(24-10-12-28(33-24)26-4-2-14-31-26)18-22(17-20)25-11-13-29(34-25)27-5-3-15-32-27/h2-18H,1H3
InChIKeyFFENBFHUUOLKJT-UHFFFAOYSA-N
MW512.75 g/mol
LogP10.28
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene

2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene (PubChem CID 25194683) has the molecular formula C29H20OS4 and a molecular weight of 512.75 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
PubChem CID25194683
Molecular FormulaC29H20OS4
Molecular Weight512.75 g/mol
Exact Mass512.04
IUPAC Name2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
SMILESCOc1ccc(-c2cc(-c3ccc(-c4cccs4)s3)cc(-c3ccc(-c4cccs4)s3)c2)cc1
InChIInChI=1S/C29H20OS4/c1-30-23-8-6-19(7-9-23)20-16-21(24-10-12-28(33-24)26-4-2-14-31-26)18-22(17-20)25-11-13-29(34-25)27-5-3-15-32-27/h2-18H,1H3
InChIKeyFFENBFHUUOLKJT-UHFFFAOYSA-N
XLogP10.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.75
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
CID 23596942
4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine
CID 13191008
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498
4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium
CID 10872437
2-(3,5-diethylphenyl)-5-thiophen-2-ylthiophene
CID 141257815
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
CID 177007601
2-(9,9-dihexyl-7-thiophen-2-ylfluoren-2-yl)-5-(4-methoxyphenyl)thiophene
CID 137380529
3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 18175413

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene?
The IUPAC name of 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene (CID 25194683) is 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene is COc1ccc(-c2cc(-c3ccc(-c4cccs4)s3)cc(-c3ccc(-c4cccs4)s3)c2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene?
The InChIKey is FFENBFHUUOLKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20OS4/c1-30-23-8-6-19(7-9-23)20-16-21(24-10-12-28(33-24)26-4-2-14-31-26)18-22(17-20)25-11-13-29(34-25)27-5-3-15-32-27/h2-18H,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene?
2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene has a molecular weight of 512.75 g/mol, XLogP of 10.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 25194683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).