6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline

C27H15NOS — CID 171407347

IUPAC6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc2c(c1)nc(-c1ccc3oc4ccccc4c3c1)c1sc3ccccc3c12
InChIInChI=1S/C27H15NOS/c1-4-10-21-18(8-1)25-19-9-3-6-12-24(19)30-27(25)26(28-21)16-13-14-23-20(15-16)17-7-2-5-11-22(17)29-23/h1-15H
InChIKeyFVYHGWZMXLLSTA-UHFFFAOYSA-N
MW401.49 g/mol
LogP8.17
Rot. Bonds1

About 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline

6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline (PubChem CID 171407347) has the molecular formula C27H15NOS and a molecular weight of 401.49 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline
PubChem CID171407347
Molecular FormulaC27H15NOS
Molecular Weight401.49 g/mol
Exact Mass401.09
IUPAC Name6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc2c(c1)nc(-c1ccc3oc4ccccc4c3c1)c1sc3ccccc3c12
InChIInChI=1S/C27H15NOS/c1-4-10-21-18(8-1)25-19-9-3-6-12-24(19)30-27(25)26(28-21)16-13-14-23-20(15-16)17-7-2-5-11-22(17)29-23/h1-15H
InChIKeyFVYHGWZMXLLSTA-UHFFFAOYSA-N
XLogP8.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163841629
6-[3-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-3-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 146489521
6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159380572
6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129085971
2-dibenzofuran-3-yl-6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 153181110
6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 129134458
6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 160897617
6-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163602817
11-[4-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]phenyl]-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513393
2-(35-dibenzofuran-2-yl-6,24-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.022,34.023,31.025,30]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23(31),25,27,29,32,34-heptadecaen-17-yl)dibenzofuran
CID 89416920
14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 160718782
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline (CID 171407347) is 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline is c1ccc2c(c1)nc(-c1ccc3oc4ccccc4c3c1)c1sc3ccccc3c12.
What is the InChIKey of 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is FVYHGWZMXLLSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15NOS/c1-4-10-21-18(8-1)25-19-9-3-6-12-24(19)30-27(25)26(28-21)16-13-14-23-20(15-16)17-7-2-5-11-22(17)29-23/h1-15H.
What are the key properties of 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline?
6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 401.49 g/mol, XLogP of 8.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 171407347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).