1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole

C37H21FN2S2 — CID 156657787

IUPAC1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole
SMILESFc1cc(-c2ccccc2)cc2c1sc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)cccc12
InChIInChI=1S/C37H21FN2S2/c38-30-20-23(22-9-2-1-3-10-22)19-29-26-12-8-13-27(35(26)42-36(29)30)37-39-31-14-5-6-15-32(31)40(37)24-17-18-34-28(21-24)25-11-4-7-16-33(25)41-34/h1-21H
InChIKeyJGQYNCLWOYCQES-UHFFFAOYSA-N
MW576.72 g/mol
LogP11.23
Rot. Bonds3

About 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole

1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole (PubChem CID 156657787) has the molecular formula C37H21FN2S2 and a molecular weight of 576.72 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole
PubChem CID156657787
Molecular FormulaC37H21FN2S2
Molecular Weight576.72 g/mol
Exact Mass576.11
IUPAC Name1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole
SMILESFc1cc(-c2ccccc2)cc2c1sc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)cccc12
InChIInChI=1S/C37H21FN2S2/c38-30-20-23(22-9-2-1-3-10-22)19-29-26-12-8-13-27(35(26)42-36(29)30)37-39-31-14-5-6-15-32(31)40(37)24-17-18-34-28(21-24)25-11-4-7-16-33(25)41-34/h1-21H
InChIKeyJGQYNCLWOYCQES-UHFFFAOYSA-N
XLogP11.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.72
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole
CID 156659016
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
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole
CID 167356304
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-naphtho[2,3-b][1]benzothiol-4-yl-1-phenylbenzimidazole
CID 170532031
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole
CID 118020018
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole
CID 156657290
2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole
CID 156658129

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole?
The IUPAC name of 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole (CID 156657787) is 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole.
What is the SMILES notation for 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole?
The canonical SMILES for 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole is Fc1cc(-c2ccccc2)cc2c1sc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)cccc12.
What is the InChIKey of 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole?
The InChIKey is JGQYNCLWOYCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21FN2S2/c38-30-20-23(22-9-2-1-3-10-22)19-29-26-12-8-13-27(35(26)42-36(29)30)37-39-31-14-5-6-15-32(31)40(37)24-17-18-34-28(21-24)25-11-4-7-16-33(25)41-34/h1-21H.
What are the key properties of 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole?
1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole has a molecular weight of 576.72 g/mol, XLogP of 11.23, 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-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole is sourced from PubChem (CID 156657787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).