1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran

C24H12BrClOS — CID 164934476

IUPAC1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran
SMILESClc1c(Br)ccc2c1sc1cc(-c3cccc4oc5ccccc5c34)ccc12
InChIInChI=1S/C24H12BrClOS/c25-18-11-10-16-15-9-8-13(12-21(15)28-24(16)23(18)26)14-5-3-7-20-22(14)17-4-1-2-6-19(17)27-20/h1-12H
InChIKeyROZQTQMJJRMBLP-UHFFFAOYSA-N
MW463.78 g/mol
LogP9.04
Rot. Bonds1

About 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran

1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran (PubChem CID 164934476) has the molecular formula C24H12BrClOS and a molecular weight of 463.78 g/mol. Its IUPAC name is 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran.

Molecular Properties

Compound Name1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran
PubChem CID164934476
Molecular FormulaC24H12BrClOS
Molecular Weight463.78 g/mol
Exact Mass461.95
IUPAC Name1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran
SMILESClc1c(Br)ccc2c1sc1cc(-c3cccc4oc5ccccc5c34)ccc12
InChIInChI=1S/C24H12BrClOS/c25-18-11-10-16-15-9-8-13(12-21(15)28-24(16)23(18)26)14-5-3-7-20-22(14)17-4-1-2-6-19(17)27-20/h1-12H
InChIKeyROZQTQMJJRMBLP-UHFFFAOYSA-N
XLogP9.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.78
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine
CID 166952761
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100766
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran
CID 122425719
1-(6-bromodibenzothiophen-4-yl)dibenzofuran
CID 163710635
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
CID 164835604
2-dibenzofuran-3-yl-4-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 170192548
2-[6-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192302
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran?
The IUPAC name of 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran (CID 164934476) is 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran.
What is the SMILES notation for 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran?
The canonical SMILES for 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran is Clc1c(Br)ccc2c1sc1cc(-c3cccc4oc5ccccc5c34)ccc12.
What is the InChIKey of 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran?
The InChIKey is ROZQTQMJJRMBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12BrClOS/c25-18-11-10-16-15-9-8-13(12-21(15)28-24(16)23(18)26)14-5-3-7-20-22(14)17-4-1-2-6-19(17)27-20/h1-12H.
What are the key properties of 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran?
1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran has a molecular weight of 463.78 g/mol, XLogP of 9.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-6-chlorodibenzothiophen-3-yl)dibenzofuran is sourced from PubChem (CID 164934476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).