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

C37H21FN2OS — CID 156657803

IUPAC1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole
SMILESFc1cc(-c2ccccc2)cc2c1oc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)cccc12
InChIInChI=1S/C37H21FN2OS/c38-30-20-23(22-9-2-1-3-10-22)19-29-26-12-8-13-27(35(26)41-36(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)42-34/h1-21H
InChIKeyIMAGULKRJDKOQI-UHFFFAOYSA-N
MW560.65 g/mol
LogP10.77
Rot. Bonds3

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

1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole (PubChem CID 156657803) has the molecular formula C37H21FN2OS and a molecular weight of 560.65 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole
PubChem CID156657803
Molecular FormulaC37H21FN2OS
Molecular Weight560.65 g/mol
Exact Mass560.14
IUPAC Name1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole
SMILESFc1cc(-c2ccccc2)cc2c1oc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)cccc12
InChIInChI=1S/C37H21FN2OS/c38-30-20-23(22-9-2-1-3-10-22)19-29-26-12-8-13-27(35(26)41-36(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)42-34/h1-21H
InChIKeyIMAGULKRJDKOQI-UHFFFAOYSA-N
XLogP10.77
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155049865
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158578
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
1-[2,6-Di(propan-2-yl)phenyl]-2-[7-(4-fluorophenyl)dibenzofuran-4-yl]benzimidazole
CID 156151039
2-(7-Fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole
CID 156151049
2-(1-Fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657266

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole?
The IUPAC name of 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole (CID 156657803) is 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole.
What is the SMILES notation for 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole?
The canonical SMILES for 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole is Fc1cc(-c2ccccc2)cc2c1oc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)cccc12.
What is the InChIKey of 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole?
The InChIKey is IMAGULKRJDKOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21FN2OS/c38-30-20-23(22-9-2-1-3-10-22)19-29-26-12-8-13-27(35(26)41-36(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)42-34/h1-21H.
What are the key properties of 1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole?
1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole has a molecular weight of 560.65 g/mol, XLogP of 10.77, 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-phenyldibenzofuran-4-yl)benzimidazole is sourced from PubChem (CID 156657803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).