2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran

C36H20OS2 — CID 137466525

IUPAC2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)cc12
InChIInChI=1S/C36H20OS2/c1-3-7-31-25(5-1)27-17-21(9-13-32(27)37-31)23-11-15-35-29(19-23)30-20-24(12-16-36(30)39-35)22-10-14-34-28(18-22)26-6-2-4-8-33(26)38-34/h1-20H
InChIKeyOHXRUTARPUXRSN-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.66
Rot. Bonds2

About 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran

2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran (PubChem CID 137466525) has the molecular formula C36H20OS2 and a molecular weight of 532.69 g/mol. Its IUPAC name is 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
PubChem CID137466525
Molecular FormulaC36H20OS2
Molecular Weight532.69 g/mol
Exact Mass532.10
IUPAC Name2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)cc12
InChIInChI=1S/C36H20OS2/c1-3-7-31-25(5-1)27-17-21(9-13-32(27)37-31)23-11-15-35-29(19-23)30-20-24(12-16-36(30)39-35)22-10-14-34-28(18-22)26-6-2-4-8-33(26)38-34/h1-20H
InChIKeyOHXRUTARPUXRSN-UHFFFAOYSA-N
XLogP11.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
2-chloro-8-dibenzothiophen-2-yldibenzofuran
CID 147232999
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047
7-bromo-2-dibenzothiophen-2-yldibenzofuran
CID 170101109
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
CID 162164697
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424

Frequently Asked Questions

What is the IUPAC name of 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran?
The IUPAC name of 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran (CID 137466525) is 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran.
What is the SMILES notation for 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran?
The canonical SMILES for 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran is c1ccc2c(c1)oc1ccc(-c3ccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)cc12.
What is the InChIKey of 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran?
The InChIKey is OHXRUTARPUXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20OS2/c1-3-7-31-25(5-1)27-17-21(9-13-32(27)37-31)23-11-15-35-29(19-23)30-20-24(12-16-36(30)39-35)22-10-14-34-28(18-22)26-6-2-4-8-33(26)38-34/h1-20H.
What are the key properties of 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran?
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran has a molecular weight of 532.69 g/mol, XLogP of 11.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran is sourced from PubChem (CID 137466525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).