4-(3-bromo-5-phenylphenyl)dibenzothiophene

C24H15BrS — CID 142380549

IUPAC4-(3-bromo-5-phenylphenyl)dibenzothiophene
SMILESBrc1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C24H15BrS/c25-19-14-17(16-7-2-1-3-8-16)13-18(15-19)20-10-6-11-22-21-9-4-5-12-23(21)26-24(20)22/h1-15H
InChIKeyPPWXHKKHQJHVCU-UHFFFAOYSA-N
MW415.36 g/mol
LogP8.15
Rot. Bonds2

About 4-(3-bromo-5-phenylphenyl)dibenzothiophene

4-(3-bromo-5-phenylphenyl)dibenzothiophene (PubChem CID 142380549) has the molecular formula C24H15BrS and a molecular weight of 415.36 g/mol. Its IUPAC name is 4-(3-bromo-5-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(3-bromo-5-phenylphenyl)dibenzothiophene
PubChem CID142380549
Molecular FormulaC24H15BrS
Molecular Weight415.36 g/mol
Exact Mass414.01
IUPAC Name4-(3-bromo-5-phenylphenyl)dibenzothiophene
SMILESBrc1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C24H15BrS/c25-19-14-17(16-7-2-1-3-8-16)13-18(15-19)20-10-6-11-22-21-9-4-5-12-23(21)26-24(20)22/h1-15H
InChIKeyPPWXHKKHQJHVCU-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
CID 59133620
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
1-bromo-3-chloro-5-phenylbenzene;4-(3-chloro-5-phenylphenyl)dibenzothiophene;dibenzothiophen-4-ylboronic acid;methane
CID 162026828
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzothiole
CID 118616658
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
3-[3,5-di(dibenzothiophen-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354722
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526
4-[3-phenyl-5-(7-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 170411136
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-phenylphenyl)dibenzothiophene?
The IUPAC name of 4-(3-bromo-5-phenylphenyl)dibenzothiophene (CID 142380549) is 4-(3-bromo-5-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(3-bromo-5-phenylphenyl)dibenzothiophene?
The canonical SMILES for 4-(3-bromo-5-phenylphenyl)dibenzothiophene is Brc1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 4-(3-bromo-5-phenylphenyl)dibenzothiophene?
The InChIKey is PPWXHKKHQJHVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrS/c25-19-14-17(16-7-2-1-3-8-16)13-18(15-19)20-10-6-11-22-21-9-4-5-12-23(21)26-24(20)22/h1-15H.
What are the key properties of 4-(3-bromo-5-phenylphenyl)dibenzothiophene?
4-(3-bromo-5-phenylphenyl)dibenzothiophene has a molecular weight of 415.36 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 142380549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).