2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran

C28H16O2S3 — CID 86235074

IUPAC2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran
SMILESc1csc(-c2oc3ccccc3c2-c2ccc(-c3c(-c4cccs4)oc4ccccc34)s2)c1
InChIInChI=1S/C28H16O2S3/c1-3-9-19-17(7-1)25(27(29-19)23-11-5-15-31-23)21-13-14-22(33-21)26-18-8-2-4-10-20(18)30-28(26)24-12-6-16-32-24/h1-16H
InChIKeyXBRIKNGAZNVPEP-UHFFFAOYSA-N
MW480.64 g/mol
LogP10.03
Rot. Bonds4

About 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran

2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran (PubChem CID 86235074) has the molecular formula C28H16O2S3 and a molecular weight of 480.64 g/mol. Its IUPAC name is 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran.

Molecular Properties

Compound Name2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran
PubChem CID86235074
Molecular FormulaC28H16O2S3
Molecular Weight480.64 g/mol
Exact Mass480.03
IUPAC Name2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran
SMILESc1csc(-c2oc3ccccc3c2-c2ccc(-c3c(-c4cccs4)oc4ccccc34)s2)c1
InChIInChI=1S/C28H16O2S3/c1-3-9-19-17(7-1)25(27(29-19)23-11-5-15-31-23)21-13-14-22(33-21)26-18-8-2-4-10-20(18)30-28(26)24-12-6-16-32-24/h1-16H
InChIKeyXBRIKNGAZNVPEP-UHFFFAOYSA-N
XLogP10.03
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.64
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-2-thiophen-2-ylchromen-4-one
CID 141451140
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium
CID 101465009
2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene
CID 177465253
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole
CID 101397273
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole
CID 122373287
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran?
The IUPAC name of 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran (CID 86235074) is 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran.
What is the SMILES notation for 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran?
The canonical SMILES for 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran is c1csc(-c2oc3ccccc3c2-c2ccc(-c3c(-c4cccs4)oc4ccccc34)s2)c1.
What is the InChIKey of 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran?
The InChIKey is XBRIKNGAZNVPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16O2S3/c1-3-9-19-17(7-1)25(27(29-19)23-11-5-15-31-23)21-13-14-22(33-21)26-18-8-2-4-10-20(18)30-28(26)24-12-6-16-32-24/h1-16H.
What are the key properties of 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran?
2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran has a molecular weight of 480.64 g/mol, XLogP of 10.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran is sourced from PubChem (CID 86235074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).