2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole

C41H24F2N2S — CID 167356304

IUPAC2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole
SMILESFc1ccc(-c2ccc3c(c2)sc2c(-c4nc5ccccc5n4-c4cccc5c(F)cc(-c6ccccc6)cc45)cccc23)cc1
InChIInChI=1S/C41H24F2N2S/c42-29-19-16-26(17-20-29)27-18-21-31-32-11-6-12-33(40(32)46-39(31)24-27)41-44-36-13-4-5-14-38(36)45(41)37-15-7-10-30-34(37)22-28(23-35(30)43)25-8-2-1-3-9-25/h1-24H
InChIKeyJMONZVKCGIDMAO-UHFFFAOYSA-N
MW614.72 g/mol
LogP11.83
Rot. Bonds4

About 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole

2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole (PubChem CID 167356304) has the molecular formula C41H24F2N2S and a molecular weight of 614.72 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole
PubChem CID167356304
Molecular FormulaC41H24F2N2S
Molecular Weight614.72 g/mol
Exact Mass614.16
IUPAC Name2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole
SMILESFc1ccc(-c2ccc3c(c2)sc2c(-c4nc5ccccc5n4-c4cccc5c(F)cc(-c6ccccc6)cc45)cccc23)cc1
InChIInChI=1S/C41H24F2N2S/c42-29-19-16-26(17-20-29)27-18-21-31-32-11-6-12-33(40(32)46-39(31)24-27)41-44-36-13-4-5-14-38(36)45(41)37-15-7-10-30-34(37)22-28(23-35(30)43)25-8-2-1-3-9-25/h1-24H
InChIKeyJMONZVKCGIDMAO-UHFFFAOYSA-N
XLogP11.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.72
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole
CID 156657787
1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole
CID 156659016
2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole
CID 156658129
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 67816856
2-naphtho[2,3-b][1]benzothiol-4-yl-1-phenylbenzimidazole
CID 170532031
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluoro-9-phenyldibenzothiophen-4-yl)benzimidazole
CID 170931421
1-(4-tert-butyl-2-phenylphenyl)-2-[7-(2,2-dimethylpropyl)dibenzothiophen-4-yl]benzimidazole
CID 156657761
1-phenyl-2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]benzimidazole
CID 147237634
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole
CID 156657290
1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-2-(7-methyldibenzothiophen-4-yl)benzimidazole
CID 171435785

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole?
The IUPAC name of 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole (CID 167356304) is 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole.
What is the SMILES notation for 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole?
The canonical SMILES for 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole is Fc1ccc(-c2ccc3c(c2)sc2c(-c4nc5ccccc5n4-c4cccc5c(F)cc(-c6ccccc6)cc45)cccc23)cc1.
What is the InChIKey of 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole?
The InChIKey is JMONZVKCGIDMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24F2N2S/c42-29-19-16-26(17-20-29)27-18-21-31-32-11-6-12-33(40(32)46-39(31)24-27)41-44-36-13-4-5-14-38(36)45(41)37-15-7-10-30-34(37)22-28(23-35(30)43)25-8-2-1-3-9-25/h1-24H.
What are the key properties of 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole?
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole has a molecular weight of 614.72 g/mol, XLogP of 11.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole is sourced from PubChem (CID 167356304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).