1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole

C37H20F2N2S2 — CID 156659016

IUPAC1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole
SMILESFc1cc(F)cc(-c2ccc3sc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)cccc4c3c2)c1
InChIInChI=1S/C37H20F2N2S2/c38-23-16-22(17-24(39)19-23)21-12-14-35-29(18-21)27-7-5-8-28(36(27)43-35)37-40-31-9-2-3-10-32(31)41(37)25-13-15-34-30(20-25)26-6-1-4-11-33(26)42-34/h1-20H
InChIKeyOFYCIEGVYRIJIU-UHFFFAOYSA-N
MW594.71 g/mol
LogP11.37
Rot. Bonds3

About 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole

1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole (PubChem CID 156659016) has the molecular formula C37H20F2N2S2 and a molecular weight of 594.71 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole
PubChem CID156659016
Molecular FormulaC37H20F2N2S2
Molecular Weight594.71 g/mol
Exact Mass594.10
IUPAC Name1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole
SMILESFc1cc(F)cc(-c2ccc3sc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)cccc4c3c2)c1
InChIInChI=1S/C37H20F2N2S2/c38-23-16-22(17-24(39)19-23)21-12-14-35-29(18-21)27-7-5-8-28(36(27)43-35)37-40-31-9-2-3-10-32(31)41(37)25-13-15-34-30(20-25)26-6-1-4-11-33(26)42-34/h1-20H
InChIKeyOFYCIEGVYRIJIU-UHFFFAOYSA-N
XLogP11.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.71
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole
CID 156657787
3-[3,5-bis(trideuteriomethyl)phenyl]-8-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[2,3-b]pyridine
CID 156670632
2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155356641
6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159111019
2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 160884959
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole
CID 167356304
2-naphtho[2,3-b][1]benzothiol-4-yl-1-phenylbenzimidazole
CID 170532031
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole
CID 58309530
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
1-phenyl-2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]benzimidazole
CID 147237634

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole?
The IUPAC name of 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole (CID 156659016) is 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole.
What is the SMILES notation for 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole?
The canonical SMILES for 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole is Fc1cc(F)cc(-c2ccc3sc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)cccc4c3c2)c1.
What is the InChIKey of 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole?
The InChIKey is OFYCIEGVYRIJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20F2N2S2/c38-23-16-22(17-24(39)19-23)21-12-14-35-29(18-21)27-7-5-8-28(36(27)43-35)37-40-31-9-2-3-10-32(31)41(37)25-13-15-34-30(20-25)26-6-1-4-11-33(26)42-34/h1-20H.
What are the key properties of 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole?
1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole has a molecular weight of 594.71 g/mol, XLogP of 11.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole is sourced from PubChem (CID 156659016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).