4-bromo-7-chloro-1-phenyldibenzothiophene

C18H10BrClS — CID 155763709

IUPAC4-bromo-7-chloro-1-phenyldibenzothiophene
SMILESClc1ccc2c(c1)sc1c(Br)ccc(-c3ccccc3)c12
InChIInChI=1S/C18H10BrClS/c19-15-9-8-13(11-4-2-1-3-5-11)17-14-7-6-12(20)10-16(14)21-18(15)17/h1-10H
InChIKeyLLORRYLIWUZUNO-UHFFFAOYSA-N
MW373.70 g/mol
LogP7.14
Rot. Bonds1

About 4-bromo-7-chloro-1-phenyldibenzothiophene

4-bromo-7-chloro-1-phenyldibenzothiophene (PubChem CID 155763709) has the molecular formula C18H10BrClS and a molecular weight of 373.70 g/mol. Its IUPAC name is 4-bromo-7-chloro-1-phenyldibenzothiophene.

Molecular Properties

Compound Name4-bromo-7-chloro-1-phenyldibenzothiophene
PubChem CID155763709
Molecular FormulaC18H10BrClS
Molecular Weight373.70 g/mol
Exact Mass371.94
IUPAC Name4-bromo-7-chloro-1-phenyldibenzothiophene
SMILESClc1ccc2c(c1)sc1c(Br)ccc(-c3ccccc3)c12
InChIInChI=1S/C18H10BrClS/c19-15-9-8-13(11-4-2-1-3-5-11)17-14-7-6-12(20)10-16(14)21-18(15)17/h1-10H
InChIKeyLLORRYLIWUZUNO-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.70
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diphenyldibenzothiophene
CID 145331773
3-chloro-6-(3-phenylphenyl)dibenzothiophene
CID 176630456
2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
2-(9-chloronaphtho[2,1-b][1]benzothiol-5-yl)-4,6-diphenyl-1,3,5-triazine
CID 164707659
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
7-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 156632699
6-bromo-10-chloronaphtho[2,1-b][1]benzothiole
CID 155763696
7-chloro-1-naphthalen-1-yldibenzothiophene
CID 166055459
7-bromo-3-(4-iodophenyl)-1,4-diphenyldibenzothiophene
CID 166714618
1-bromo-2-(4-chlorophenyl)-4-phenylbenzene
CID 166487719
4-(3-methylphenyl)-1-phenyldibenzothiophene
CID 129266942
N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167231318

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-1-phenyldibenzothiophene?
The IUPAC name of 4-bromo-7-chloro-1-phenyldibenzothiophene (CID 155763709) is 4-bromo-7-chloro-1-phenyldibenzothiophene.
What is the SMILES notation for 4-bromo-7-chloro-1-phenyldibenzothiophene?
The canonical SMILES for 4-bromo-7-chloro-1-phenyldibenzothiophene is Clc1ccc2c(c1)sc1c(Br)ccc(-c3ccccc3)c12.
What is the InChIKey of 4-bromo-7-chloro-1-phenyldibenzothiophene?
The InChIKey is LLORRYLIWUZUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClS/c19-15-9-8-13(11-4-2-1-3-5-11)17-14-7-6-12(20)10-16(14)21-18(15)17/h1-10H.
What are the key properties of 4-bromo-7-chloro-1-phenyldibenzothiophene?
4-bromo-7-chloro-1-phenyldibenzothiophene has a molecular weight of 373.70 g/mol, XLogP of 7.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-chloro-1-phenyldibenzothiophene is sourced from PubChem (CID 155763709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).