2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran

C26H16OS — CID 148604999

IUPAC2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran
SMILESc1ccc(-c2ccc3c(c2)oc2c4ccc(-c5ccccc5)cc4sc32)cc1
InChIInChI=1S/C26H16OS/c1-3-7-17(8-4-1)19-11-13-21-23(15-19)27-25-22-14-12-20(16-24(22)28-26(21)25)18-9-5-2-6-10-18/h1-16H
InChIKeyNDFOYRHMXJBZBJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP8.13
Rot. Bonds2

About 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran

2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran (PubChem CID 148604999) has the molecular formula C26H16OS and a molecular weight of 376.48 g/mol. Its IUPAC name is 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran.

Molecular Properties

Compound Name2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran
PubChem CID148604999
Molecular FormulaC26H16OS
Molecular Weight376.48 g/mol
Exact Mass376.09
IUPAC Name2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran
SMILESc1ccc(-c2ccc3c(c2)oc2c4ccc(-c5ccccc5)cc4sc32)cc1
InChIInChI=1S/C26H16OS/c1-3-7-17(8-4-1)19-11-13-21-23(15-19)27-25-22-14-12-20(16-24(22)28-26(21)25)18-9-5-2-6-10-18/h1-16H
InChIKeyNDFOYRHMXJBZBJ-UHFFFAOYSA-N
XLogP8.13
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
CID 24747884
1-[4-[2-(2-Methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone
CID 24794046
3-[3,3,4,4,5,5-Hexafluoro-2-(3-methyl-1-benzothiophen-2-yl)cyclopenten-1-yl]-2-methyl-1-benzofuran
CID 87631885
3-[3,3,4,4,5,5-Hexafluoro-2-(2-propyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-propyl-1-benzofuran
CID 87631930
2-[3,3,4,4,5,5-Hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-3-methyl-1-benzofuran
CID 101854045
2-Ethyl-3-[2-(2-methyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]benzofuran
CID 102453639
6-Oxa-12-thia-indeno[1,2-b]fluorene
CID 25212619
[1]Benzothieno[3,2-b][1]benzofuran
CID 10944099
2-(3-Thienyl)benzofuran
CID 53792992
3-(3-(Naphthalen-1-yloxy)propyl)-6-phenylbenzo[b]thiophene-2-carboxylic acid
CID 90079777
3-(3-(Naphthalen-1-yloxy)propyl)-6-(o-tolyl)benzo[b]thiophene-2-carboxylic acid
CID 90080117
2-[3,3,4,4,5,5-Hexafluoro-2-(3-methyl-1-benzothiophen-2-yl)cyclopenten-1-yl]-3-methyl-1-benzofuran
CID 101854046

Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran?
The IUPAC name of 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran (CID 148604999) is 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran.
What is the SMILES notation for 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran?
The canonical SMILES for 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran is c1ccc(-c2ccc3c(c2)oc2c4ccc(-c5ccccc5)cc4sc32)cc1.
What is the InChIKey of 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran?
The InChIKey is NDFOYRHMXJBZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16OS/c1-3-7-17(8-4-1)19-11-13-21-23(15-19)27-25-22-14-12-20(16-24(22)28-26(21)25)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran?
2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran has a molecular weight of 376.48 g/mol, XLogP of 8.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzofuran is sourced from PubChem (CID 148604999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).