2-dibenzothiophen-4-yldibenzofuran

C24H14OS — CID 137466632

IUPAC2-dibenzothiophen-4-yldibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3cccc4c3sc3ccccc34)cc12
InChIInChI=1S/C24H14OS/c1-3-10-21-17(6-1)20-14-15(12-13-22(20)25-21)16-8-5-9-19-18-7-2-4-11-23(18)26-24(16)19/h1-14H
InChIKeyNXINBPTWHNNEMR-UHFFFAOYSA-N
MW350.44 g/mol
LogP7.62
Rot. Bonds1

About 2-dibenzothiophen-4-yldibenzofuran

2-dibenzothiophen-4-yldibenzofuran (PubChem CID 137466632) has the molecular formula C24H14OS and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yldibenzofuran.

Molecular Properties

Compound Name2-dibenzothiophen-4-yldibenzofuran
PubChem CID137466632
Molecular FormulaC24H14OS
Molecular Weight350.44 g/mol
Exact Mass350.08
IUPAC Name2-dibenzothiophen-4-yldibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3cccc4c3sc3ccccc34)cc12
InChIInChI=1S/C24H14OS/c1-3-10-21-17(6-1)20-14-15(12-13-22(20)25-21)16-8-5-9-19-18-7-2-4-11-23(18)26-24(16)19/h1-14H
InChIKeyNXINBPTWHNNEMR-UHFFFAOYSA-N
XLogP7.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
2,8-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran
CID 139572206
(8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid
CID 141395434
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran
CID 158113882
20-dibenzothiophen-4-yl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348416
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-phenylxanthen-9-one
CID 177106363
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
2-(35-dibenzofuran-2-yl-6,24-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.022,34.023,31.025,30]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23(31),25,27,29,32,34-heptadecaen-17-yl)dibenzofuran
CID 89416920
4-[3-(4-dibenzofuran-2-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171584514
9-dibenzofuran-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline
CID 134273482

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yldibenzofuran?
The IUPAC name of 2-dibenzothiophen-4-yldibenzofuran (CID 137466632) is 2-dibenzothiophen-4-yldibenzofuran.
What is the SMILES notation for 2-dibenzothiophen-4-yldibenzofuran?
The canonical SMILES for 2-dibenzothiophen-4-yldibenzofuran is c1ccc2c(c1)oc1ccc(-c3cccc4c3sc3ccccc34)cc12.
What is the InChIKey of 2-dibenzothiophen-4-yldibenzofuran?
The InChIKey is NXINBPTWHNNEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14OS/c1-3-10-21-17(6-1)20-14-15(12-13-22(20)25-21)16-8-5-9-19-18-7-2-4-11-23(18)26-24(16)19/h1-14H.
What are the key properties of 2-dibenzothiophen-4-yldibenzofuran?
2-dibenzothiophen-4-yldibenzofuran has a molecular weight of 350.44 g/mol, XLogP of 7.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yldibenzofuran is sourced from PubChem (CID 137466632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).