8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine

C36H20FN3OS — CID 156667854

IUPAC8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine
SMILESFc1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3sc4ncccc4c23)cc1
InChIInChI=1S/C36H20FN3OS/c37-22-16-14-21(15-17-22)23-18-19-27(34-32(23)26-9-6-20-38-36(26)42-34)35-39-28-10-2-3-11-29(28)40(35)30-12-5-8-25-24-7-1-4-13-31(24)41-33(25)30/h1-20H
InChIKeyUZIFUIXAUDXOLH-UHFFFAOYSA-N
MW561.64 g/mol
LogP10.16
Rot. Bonds3

About 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine

8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine (PubChem CID 156667854) has the molecular formula C36H20FN3OS and a molecular weight of 561.64 g/mol. Its IUPAC name is 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine
PubChem CID156667854
Molecular FormulaC36H20FN3OS
Molecular Weight561.64 g/mol
Exact Mass561.13
IUPAC Name8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine
SMILESFc1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3sc4ncccc4c23)cc1
InChIInChI=1S/C36H20FN3OS/c37-22-16-14-21(15-17-22)23-18-19-27(34-32(23)26-9-6-20-38-36(26)42-34)35-39-28-10-2-3-11-29(28)40(35)30-12-5-8-25-24-7-1-4-13-31(24)41-33(25)30/h1-20H
InChIKeyUZIFUIXAUDXOLH-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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Related Compounds

5-[14-(N-dibenzofuran-4-ylanilino)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-N-(4-fluorophenyl)-N-phenylpyridin-2-amine
CID 117731106
5-[5-(N-dibenzofuran-4-ylanilino)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]-N-(4-fluorophenyl)-N-phenylpyridin-2-amine
CID 117731108
11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158563
14-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159534
2-(6-Dibenzothiophen-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-phenylimidazol-1-ium
CID 164849420
1-(1-Benzofuran-2-yl)-3-methyl-2-[6-methyl-3-pyridin-4-yl-2-(trifluoromethyl)-1-benzothiophen-5-yl]benzimidazol-3-ium
CID 169300961
9-[6-(1,3-Dimethylimidazol-1-ium-2-yl)-9-(2,2-dimethylpropyl)-3-fluoro-7-methyldibenzofuran-4-yl]carbazole
CID 171407192
18-[1-[2,6-Di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-17-methyl-4-(trifluoromethyl)-20-oxa-5-thia-3-azapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene
CID 172126988
[18-(8-Fluorodibenzofuran-3-yl)-3-methylidene-11-(2-phenylphenyl)-15-thia-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
CID 174080194
3-[3-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-20-oxa-3,5-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 140951616
9-[3-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140952103
2-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole
CID 140952252

Frequently Asked Questions

What is the IUPAC name of 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine (CID 156667854) is 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine is Fc1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3sc4ncccc4c23)cc1.
What is the InChIKey of 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is UZIFUIXAUDXOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20FN3OS/c37-22-16-14-21(15-17-22)23-18-19-27(34-32(23)26-9-6-20-38-36(26)42-34)35-39-28-10-2-3-11-29(28)40(35)30-12-5-8-25-24-7-1-4-13-31(24)41-33(25)30/h1-20H.
What are the key properties of 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine?
8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-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 8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 156667854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).