4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline

C34H18FN3OS — CID 156668380

IUPAC4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline
SMILESFc1ccc2nc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)cccc4c3cc2c1
InChIInChI=1S/C34H18FN3OS/c35-20-12-14-27-19(16-20)17-26-23-7-5-8-24(32(23)39-34(26)37-27)33-36-28-9-2-3-10-29(28)38(33)21-13-15-31-25(18-21)22-6-1-4-11-30(22)40-31/h1-18H
InChIKeyRMLWVZSIHPGYIU-UHFFFAOYSA-N
MW535.60 g/mol
LogP9.65
Rot. Bonds2

About 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline

4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline (PubChem CID 156668380) has the molecular formula C34H18FN3OS and a molecular weight of 535.60 g/mol. Its IUPAC name is 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline
PubChem CID156668380
Molecular FormulaC34H18FN3OS
Molecular Weight535.60 g/mol
Exact Mass535.12
IUPAC Name4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline
SMILESFc1ccc2nc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)cccc4c3cc2c1
InChIInChI=1S/C34H18FN3OS/c35-20-12-14-27-19(16-20)17-26-23-7-5-8-24(32(23)39-34(26)37-27)33-36-28-9-2-3-10-29(28)38(33)21-13-15-31-25(18-21)22-6-1-4-11-30(22)40-31/h1-18H
InChIKeyRMLWVZSIHPGYIU-UHFFFAOYSA-N
XLogP9.65
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.60
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[(E)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-1-enyl]-2-(fluoromethyl)-[1]benzothiolo[6,5-b][1]benzofuran-7-yl]carbazole
CID 146664308
8-[1-(2,6-Diphenylphenyl)-3-methylbenzimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464379
2-Fluoro-7-methyl-8-[1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464436
8-[1-(2,6-Diphenylphenyl)-3-methylbenzimidazol-3-ium-2-yl]-2,5-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464660
8-[1-(2,6-Diphenylphenyl)-3-methylbenzimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464886
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158578
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158580
14-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-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 155159487
5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159514
7-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[2,3-b]carbazole
CID 155159515
4-[1-[2,6-Di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-[1]benzofuro[2,3-b]quinoline
CID 156193489
4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-2H-[1]benzofuro[2,3-b]quinolin-1-one
CID 156672301

Frequently Asked Questions

What is the IUPAC name of 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline (CID 156668380) is 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline is Fc1ccc2nc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)cccc4c3cc2c1.
What is the InChIKey of 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline?
The InChIKey is RMLWVZSIHPGYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18FN3OS/c35-20-12-14-27-19(16-20)17-26-23-7-5-8-24(32(23)39-34(26)37-27)33-36-28-9-2-3-10-29(28)38(33)21-13-15-31-25(18-21)22-6-1-4-11-30(22)40-31/h1-18H.
What are the key properties of 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline?
4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline has a molecular weight of 535.60 g/mol, XLogP of 9.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 156668380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).