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

C37H20F2N2OS — CID 156657230

IUPAC1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole
SMILESFc1cc(F)cc(-c2ccc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)cccc4c3c2)c1
InChIInChI=1S/C37H20F2N2OS/c38-23-16-22(17-24(39)19-23)21-12-14-33-29(18-21)27-7-5-8-28(36(27)42-33)37-40-31-9-2-3-10-32(31)41(37)25-13-15-35-30(20-25)26-6-1-4-11-34(26)43-35/h1-20H
InChIKeyUVUOEWAAKMAMRD-UHFFFAOYSA-N
MW578.64 g/mol
LogP10.90
Rot. Bonds3

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

1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole (PubChem CID 156657230) has the molecular formula C37H20F2N2OS and a molecular weight of 578.64 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole
PubChem CID156657230
Molecular FormulaC37H20F2N2OS
Molecular Weight578.64 g/mol
Exact Mass578.13
IUPAC Name1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole
SMILESFc1cc(F)cc(-c2ccc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)cccc4c3c2)c1
InChIInChI=1S/C37H20F2N2OS/c38-23-16-22(17-24(39)19-23)21-12-14-33-29(18-21)27-7-5-8-28(36(27)42-33)37-40-31-9-2-3-10-32(31)41(37)25-13-15-35-30(20-25)26-6-1-4-11-34(26)43-35/h1-20H
InChIKeyUVUOEWAAKMAMRD-UHFFFAOYSA-N
XLogP10.90
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.64
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
4-Dibenzofuran-2-yl-6-dibenzothiophen-3-yl-2-(7-fluorodibenzothiophen-3-yl)pyrimidine
CID 138736622
[8-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite
CID 139421262
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
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
2-(1,7-Difluoro-3-methyldibenzofuran-4-yl)-1-(2,6-diphenylphenyl)-3-methylbenzimidazol-3-ium
CID 146764655
2-(1,7-Difluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium
CID 147101258
2-(7,9-Difluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium
CID 153464435
2-(7,9-Difluoro-3-methyldibenzofuran-4-yl)-1-(2,6-diphenylphenyl)-3-methylbenzimidazol-3-ium
CID 153464562
2-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155049865
2-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 155049866

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole?
The IUPAC name of 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole (CID 156657230) is 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole.
What is the SMILES notation for 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole?
The canonical SMILES for 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole is Fc1cc(F)cc(-c2ccc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)cccc4c3c2)c1.
What is the InChIKey of 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole?
The InChIKey is UVUOEWAAKMAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20F2N2OS/c38-23-16-22(17-24(39)19-23)21-12-14-33-29(18-21)27-7-5-8-28(36(27)42-33)37-40-31-9-2-3-10-32(31)41(37)25-13-15-35-30(20-25)26-6-1-4-11-34(26)43-35/h1-20H.
What are the key properties of 1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole?
1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole has a molecular weight of 578.64 g/mol, XLogP of 10.90, 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)dibenzofuran-4-yl]benzimidazole is sourced from PubChem (CID 156657230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).