6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline

C27H14FNOS — CID 171407324

IUPAC6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
SMILESFc1ccc2c(c1)sc1ccc(-c3nc4ccccc4c4c3oc3ccccc34)cc12
InChIInChI=1S/C27H14FNOS/c28-16-10-11-17-20-13-15(9-12-23(20)31-24(17)14-16)26-27-25(18-5-1-3-7-21(18)29-26)19-6-2-4-8-22(19)30-27/h1-14H
InChIKeyRWRMLGPYESPXJF-UHFFFAOYSA-N
MW419.48 g/mol
LogP8.31
Rot. Bonds1

About 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline

6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline (PubChem CID 171407324) has the molecular formula C27H14FNOS and a molecular weight of 419.48 g/mol. Its IUPAC name is 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
PubChem CID171407324
Molecular FormulaC27H14FNOS
Molecular Weight419.48 g/mol
Exact Mass419.08
IUPAC Name6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
SMILESFc1ccc2c(c1)sc1ccc(-c3nc4ccccc4c4c3oc3ccccc34)cc12
InChIInChI=1S/C27H14FNOS/c28-16-10-11-17-20-13-15(9-12-23(20)31-24(17)14-16)26-27-25(18-5-1-3-7-21(18)29-26)19-6-2-4-8-22(19)30-27/h1-14H
InChIKeyRWRMLGPYESPXJF-UHFFFAOYSA-N
XLogP8.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-[2-(7-oxa-5-aza-benzo[c]fluoren-6-ylsulfanyl)-ethyl]-amine
CID 10336267
N,N,N'-trimethyl-N'-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-[1]benzofuro[3,2-b]quinolin-11-yl]propane-1,3-diamine
CID 145968921
2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-N-(2-thiophen-2-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 145964389
11-(4-methylpiperazin-1-yl)-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-[1]benzofuro[3,2-b]quinoline
CID 145965081
2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-N-(2-phenylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 145973090
N-[2-(4-fluorophenyl)ethyl]-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 145978747
2-(1-Benzofuran-2-yl)-4-phenylquinoline
CID 2457742
2-[2-(Furan-2-yl)quinolin-4-yl]-1,3-benzothiazole
CID 2344321
2-[4-(Dibenzothiophen-4-yl)phenyl]benzoxazole
CID 67607725
2-[4-(2,8-Diphenyldibenzothiophen-4-yl)phenyl]benzoxazole
CID 67608627
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
3-Fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine
CID 162719924

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline (CID 171407324) is 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline is Fc1ccc2c(c1)sc1ccc(-c3nc4ccccc4c4c3oc3ccccc34)cc12.
What is the InChIKey of 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline?
The InChIKey is RWRMLGPYESPXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14FNOS/c28-16-10-11-17-20-13-15(9-12-23(20)31-24(17)14-16)26-27-25(18-5-1-3-7-21(18)29-26)19-6-2-4-8-22(19)30-27/h1-14H.
What are the key properties of 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline?
6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline has a molecular weight of 419.48 g/mol, XLogP of 8.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 171407324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).