6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline

C21H11Br2NS — CID 129086165

IUPAC6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESBrc1cc(Br)cc(-c2nc3ccccc3c3sc4ccccc4c23)c1
InChIInChI=1S/C21H11Br2NS/c22-13-9-12(10-14(23)11-13)20-19-16-6-2-4-8-18(16)25-21(19)15-5-1-3-7-17(15)24-20/h1-11H
InChIKeyJARFCKRXENDEDR-UHFFFAOYSA-N
MW469.20 g/mol
LogP7.79
Rot. Bonds1

About 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline

6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline (PubChem CID 129086165) has the molecular formula C21H11Br2NS and a molecular weight of 469.20 g/mol. Its IUPAC name is 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline
PubChem CID129086165
Molecular FormulaC21H11Br2NS
Molecular Weight469.20 g/mol
Exact Mass466.90
IUPAC Name6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESBrc1cc(Br)cc(-c2nc3ccccc3c3sc4ccccc4c23)c1
InChIInChI=1S/C21H11Br2NS/c22-13-9-12(10-14(23)11-13)20-19-16-6-2-4-8-18(16)25-21(19)15-5-1-3-7-17(15)24-20/h1-11H
InChIKeyJARFCKRXENDEDR-UHFFFAOYSA-N
XLogP7.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.20
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086546
6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085906
6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline
CID 129134322
3-phenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 158533695
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085889
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086221
6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 129134458
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 160727234
6-[4-(4-phenyl-6-triphenylen-2-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 163849329
14-(3-bromophenyl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 118625945
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-thia-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 146687095
6-[3-[4-(4-phenanthren-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 161054592

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline (CID 129086165) is 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline is Brc1cc(Br)cc(-c2nc3ccccc3c3sc4ccccc4c23)c1.
What is the InChIKey of 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is JARFCKRXENDEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Br2NS/c22-13-9-12(10-14(23)11-13)20-19-16-6-2-4-8-18(16)25-21(19)15-5-1-3-7-17(15)24-20/h1-11H.
What are the key properties of 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline?
6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 469.20 g/mol, XLogP of 7.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 129086165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).