1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene

C24H14BrClS — CID 163869830

IUPAC1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene
SMILESClc1cccc(-c2ccccc2-c2ccc3sc4cccc(Br)c4c3c2)c1
InChIInChI=1S/C24H14BrClS/c25-21-9-4-10-23-24(21)20-14-16(11-12-22(20)27-23)19-8-2-1-7-18(19)15-5-3-6-17(26)13-15/h1-14H
InChIKeyPJVCKKDFCJKDGX-UHFFFAOYSA-N
MW449.80 g/mol
LogP8.80
Rot. Bonds2

About 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene

1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene (PubChem CID 163869830) has the molecular formula C24H14BrClS and a molecular weight of 449.80 g/mol. Its IUPAC name is 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene
PubChem CID163869830
Molecular FormulaC24H14BrClS
Molecular Weight449.80 g/mol
Exact Mass447.97
IUPAC Name1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene
SMILESClc1cccc(-c2ccccc2-c2ccc3sc4cccc(Br)c4c3c2)c1
InChIInChI=1S/C24H14BrClS/c25-21-9-4-10-23-24(21)20-14-16(11-12-22(20)27-23)19-8-2-1-7-18(19)15-5-3-6-17(26)13-15/h1-14H
InChIKeyPJVCKKDFCJKDGX-UHFFFAOYSA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.80
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine
CID 167230657
11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole
CID 146663717
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
1-(3-chloro-5-phenylphenyl)dibenzothiophene
CID 175911263
8-bromo-1-dibenzothiophen-3-yldibenzothiophene
CID 170180168
2-[8-(3,4-diphenylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134198722
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
8-chloro-1-phenanthren-9-yldibenzothiophene
CID 172508813
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene?
The IUPAC name of 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene (CID 163869830) is 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene.
What is the SMILES notation for 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene?
The canonical SMILES for 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene is Clc1cccc(-c2ccccc2-c2ccc3sc4cccc(Br)c4c3c2)c1.
What is the InChIKey of 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene?
The InChIKey is PJVCKKDFCJKDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrClS/c25-21-9-4-10-23-24(21)20-14-16(11-12-22(20)27-23)19-8-2-1-7-18(19)15-5-3-6-17(26)13-15/h1-14H.
What are the key properties of 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene?
1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene has a molecular weight of 449.80 g/mol, XLogP of 8.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene is sourced from PubChem (CID 163869830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).