1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole

C37H21FN2OS — CID 156659802

IUPAC1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
SMILESFc1cccc(-c2ccc3c(c2)oc2ccc(-c4nc5ccccc5n4-c4ccc5sc6ccccc6c5c4)cc23)c1
InChIInChI=1S/C37H21FN2OS/c38-25-7-5-6-22(18-25)23-12-15-27-29-19-24(13-16-33(29)41-34(27)20-23)37-39-31-9-2-3-10-32(31)40(37)26-14-17-36-30(21-26)28-8-1-4-11-35(28)42-36/h1-21H
InChIKeyAEHXMDQZWCIKKJ-UHFFFAOYSA-N
MW560.65 g/mol
LogP10.77
Rot. Bonds3

About 1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole

1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole (PubChem CID 156659802) has the molecular formula C37H21FN2OS and a molecular weight of 560.65 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
PubChem CID156659802
Molecular FormulaC37H21FN2OS
Molecular Weight560.65 g/mol
Exact Mass560.14
IUPAC Name1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
SMILESFc1cccc(-c2ccc3c(c2)oc2ccc(-c4nc5ccccc5n4-c4ccc5sc6ccccc6c5c4)cc23)c1
InChIInChI=1S/C37H21FN2OS/c38-25-7-5-6-22(18-25)23-12-15-27-29-19-24(13-16-33(29)41-34(27)20-23)37-39-31-9-2-3-10-32(31)40(37)26-14-17-36-30(21-26)28-8-1-4-11-35(28)42-36/h1-21H
InChIKeyAEHXMDQZWCIKKJ-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

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Related Compounds

3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276720
4-Dibenzofuran-2-yl-6-dibenzothiophen-3-yl-2-(7-fluorodibenzothiophen-3-yl)pyrimidine
CID 138736622
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-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 148229630
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 148256198
2-(7-Fluoro-2-methyldibenzofuran-3-yl)-1-methyl-3-phenylbenzimidazol-1-ium
CID 149339772
1-(2,6-Diphenylphenyl)-2-(7-fluoro-2-methyldibenzofuran-3-yl)-3-methylbenzimidazol-3-ium
CID 152809731
2-(7,9-Difluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-(2-propan-2-ylphenyl)benzimidazol-1-ium
CID 153464319
2-(7,9-Difluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium
CID 153464390
2-(7-Fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-(2-propan-2-ylphenyl)benzimidazol-1-ium
CID 153464445
2-(7-Fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium
CID 153464459
2-(7,9-Difluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylbenzimidazol-1-ium
CID 153464466

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole?
The IUPAC name of 1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole (CID 156659802) is 1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole.
What is the SMILES notation for 1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole?
The canonical SMILES for 1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole is Fc1cccc(-c2ccc3c(c2)oc2ccc(-c4nc5ccccc5n4-c4ccc5sc6ccccc6c5c4)cc23)c1.
What is the InChIKey of 1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole?
The InChIKey is AEHXMDQZWCIKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21FN2OS/c38-25-7-5-6-22(18-25)23-12-15-27-29-19-24(13-16-33(29)41-34(27)20-23)37-39-31-9-2-3-10-32(31)40(37)26-14-17-36-30(21-26)28-8-1-4-11-35(28)42-36/h1-21H.
What are the key properties of 1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole?
1-dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-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-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole is sourced from PubChem (CID 156659802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).