3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline

C33H19NOS — CID 129134267

IUPAC3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESc1cc(-c2ccc3c(c2)ncc2c4ccccc4sc32)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C33H19NOS/c1-3-13-30-24(9-1)26-12-6-11-23(32(26)35-30)22-8-5-7-20(17-22)21-15-16-27-29(18-21)34-19-28-25-10-2-4-14-31(25)36-33(27)28/h1-19H
InChIKeyNJSBSTCKHHAPHP-UHFFFAOYSA-N
MW477.59 g/mol
LogP9.84
Rot. Bonds2

About 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline

3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline (PubChem CID 129134267) has the molecular formula C33H19NOS and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
PubChem CID129134267
Molecular FormulaC33H19NOS
Molecular Weight477.59 g/mol
Exact Mass477.12
IUPAC Name3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESc1cc(-c2ccc3c(c2)ncc2c4ccccc4sc32)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C33H19NOS/c1-3-13-30-24(9-1)26-12-6-11-23(32(26)35-30)22-8-5-7-20(17-22)21-15-16-27-29(18-21)34-19-28-25-10-2-4-14-31(25)36-33(27)28/h1-19H
InChIKeyNJSBSTCKHHAPHP-UHFFFAOYSA-N
XLogP9.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1H-indol-6-yl)-2-thiophen-3-ylchromen-4-one
CID 44202181
2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049931
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
3-Dibenzofuran-2-yl-8-dibenzothiophen-2-yl-5,6-difluoro-1,10-phenanthroline
CID 123925014
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
8-(4-Dibenzofuran-4-ylphenyl)-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfanyloxy)quinoline
CID 142622020
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline (CID 129134267) is 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline is c1cc(-c2ccc3c(c2)ncc2c4ccccc4sc32)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is NJSBSTCKHHAPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19NOS/c1-3-13-30-24(9-1)26-12-6-11-23(32(26)35-30)22-8-5-7-20(17-22)21-15-16-27-29(18-21)34-19-28-25-10-2-4-14-31(25)36-33(27)28/h1-19H.
What are the key properties of 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 477.59 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 129134267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).