6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine

C36H20FN3OS — CID 156668518

IUPAC6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2ccccc2)nc2c1oc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)cccc12
InChIInChI=1S/C36H20FN3OS/c37-27-20-29(21-9-2-1-3-10-21)38-33-24-12-8-13-25(34(24)41-35(27)33)36-39-28-14-5-6-15-30(28)40(36)22-17-18-32-26(19-22)23-11-4-7-16-31(23)42-32/h1-20H
InChIKeyLASFYNYUMCZWAJ-UHFFFAOYSA-N
MW561.64 g/mol
LogP10.16
Rot. Bonds3

About 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine

6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 156668518) has the molecular formula C36H20FN3OS and a molecular weight of 561.64 g/mol. Its IUPAC name is 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine
PubChem CID156668518
Molecular FormulaC36H20FN3OS
Molecular Weight561.64 g/mol
Exact Mass561.13
IUPAC Name6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2ccccc2)nc2c1oc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)cccc12
InChIInChI=1S/C36H20FN3OS/c37-27-20-29(21-9-2-1-3-10-21)38-33-24-12-8-13-25(34(24)41-35(27)33)36-39-28-14-5-6-15-30(28)40(36)22-17-18-32-26(19-22)23-11-4-7-16-31(23)42-32/h1-20H
InChIKeyLASFYNYUMCZWAJ-UHFFFAOYSA-N
XLogP10.16
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine (CID 156668518) is 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine is Fc1cc(-c2ccccc2)nc2c1oc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)cccc12.
What is the InChIKey of 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is LASFYNYUMCZWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20FN3OS/c37-27-20-29(21-9-2-1-3-10-21)38-33-24-12-8-13-25(34(24)41-35(27)33)36-39-28-14-5-6-15-30(28)40(36)22-17-18-32-26(19-22)23-11-4-7-16-31(23)42-32/h1-20H.
What are the key properties of 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine?
6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 561.64 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 156668518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).