1-(6-bromodibenzothiophen-4-yl)dibenzofuran

C24H13BrOS — CID 163710635

IUPAC1-(6-bromodibenzothiophen-4-yl)dibenzofuran
SMILESBrc1cccc2c1sc1c(-c3cccc4oc5ccccc5c34)cccc12
InChIInChI=1S/C24H13BrOS/c25-19-11-4-10-17-16-9-3-8-15(23(16)27-24(17)19)14-7-5-13-21-22(14)18-6-1-2-12-20(18)26-21/h1-13H
InChIKeyKIXFTBPVFMCMOX-UHFFFAOYSA-N
MW429.34 g/mol
LogP8.38
Rot. Bonds1

About 1-(6-bromodibenzothiophen-4-yl)dibenzofuran

1-(6-bromodibenzothiophen-4-yl)dibenzofuran (PubChem CID 163710635) has the molecular formula C24H13BrOS and a molecular weight of 429.34 g/mol. Its IUPAC name is 1-(6-bromodibenzothiophen-4-yl)dibenzofuran.

Molecular Properties

Compound Name1-(6-bromodibenzothiophen-4-yl)dibenzofuran
PubChem CID163710635
Molecular FormulaC24H13BrOS
Molecular Weight429.34 g/mol
Exact Mass427.99
IUPAC Name1-(6-bromodibenzothiophen-4-yl)dibenzofuran
SMILESBrc1cccc2c1sc1c(-c3cccc4oc5ccccc5c34)cccc12
InChIInChI=1S/C24H13BrOS/c25-19-11-4-10-17-16-9-3-8-15(23(16)27-24(17)19)14-7-5-13-21-22(14)18-6-1-2-12-20(18)26-21/h1-13H
InChIKeyKIXFTBPVFMCMOX-UHFFFAOYSA-N
XLogP8.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.34
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-di(triphenylen-1-yl)dibenzothiophene
CID 88552368
6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828585
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170207728
2-dibenzofuran-1-ylaniline
CID 138698486
1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran
CID 164934476
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
3-carbazol-9-yl-9-(6-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 146533063
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397717
N-(4-dibenzofuran-1-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396723
2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168721769
1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156553127

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromodibenzothiophen-4-yl)dibenzofuran?
The IUPAC name of 1-(6-bromodibenzothiophen-4-yl)dibenzofuran (CID 163710635) is 1-(6-bromodibenzothiophen-4-yl)dibenzofuran.
What is the SMILES notation for 1-(6-bromodibenzothiophen-4-yl)dibenzofuran?
The canonical SMILES for 1-(6-bromodibenzothiophen-4-yl)dibenzofuran is Brc1cccc2c1sc1c(-c3cccc4oc5ccccc5c34)cccc12.
What is the InChIKey of 1-(6-bromodibenzothiophen-4-yl)dibenzofuran?
The InChIKey is KIXFTBPVFMCMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrOS/c25-19-11-4-10-17-16-9-3-8-15(23(16)27-24(17)19)14-7-5-13-21-22(14)18-6-1-2-12-20(18)26-21/h1-13H.
What are the key properties of 1-(6-bromodibenzothiophen-4-yl)dibenzofuran?
1-(6-bromodibenzothiophen-4-yl)dibenzofuran has a molecular weight of 429.34 g/mol, XLogP of 8.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromodibenzothiophen-4-yl)dibenzofuran is sourced from PubChem (CID 163710635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).