8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine

C35H22FN3OS — CID 156669825

IUPAC8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine
SMILESCc1ccc2c(n1)sc1c(C3Nc4cc5ccccc5cc4N3c3cccc4c3oc3ccccc34)ccc(F)c12
InChIInChI=1S/C35H22FN3OS/c1-19-13-14-24-31-26(36)16-15-25(33(31)41-35(24)37-19)34-38-27-17-20-7-2-3-8-21(20)18-29(27)39(34)28-11-6-10-23-22-9-4-5-12-30(22)40-32(23)28/h2-18,34,38H,1H3
InChIKeyGQMUHFAGMVIWEG-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.21
Rot. Bonds2

About 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine

8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine (PubChem CID 156669825) has the molecular formula C35H22FN3OS and a molecular weight of 551.65 g/mol. Its IUPAC name is 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine
PubChem CID156669825
Molecular FormulaC35H22FN3OS
Molecular Weight551.65 g/mol
Exact Mass551.15
IUPAC Name8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine
SMILESCc1ccc2c(n1)sc1c(C3Nc4cc5ccccc5cc4N3c3cccc4c3oc3ccccc34)ccc(F)c12
InChIInChI=1S/C35H22FN3OS/c1-19-13-14-24-31-26(36)16-15-25(33(31)41-35(24)37-19)34-38-27-17-20-7-2-3-8-21(20)18-29(27)39(34)28-11-6-10-23-22-9-4-5-12-30(22)40-32(23)28/h2-18,34,38H,1H3
InChIKeyGQMUHFAGMVIWEG-UHFFFAOYSA-N
XLogP10.21
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine (CID 156669825) is 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine is Cc1ccc2c(n1)sc1c(C3Nc4cc5ccccc5cc4N3c3cccc4c3oc3ccccc34)ccc(F)c12.
What is the InChIKey of 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is GQMUHFAGMVIWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22FN3OS/c1-19-13-14-24-31-26(36)16-15-25(33(31)41-35(24)37-19)34-38-27-17-20-7-2-3-8-21(20)18-29(27)39(34)28-11-6-10-23-22-9-4-5-12-30(22)40-32(23)28/h2-18,34,38H,1H3.
What are the key properties of 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine?
8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 551.65 g/mol, XLogP of 10.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzofuran-4-yl-1,2-dihydrobenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 156669825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).