2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole

C43H25FN2OS — CID 156660111

IUPAC2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole
SMILESFc1ccc2oc3cc(-c4ccc5c(c4)sc4c(-c6nc7ccccc7n6-c6ccccc6-c6ccccc6)cccc45)ccc3c2c1
InChIInChI=1S/C43H25FN2OS/c44-29-19-22-39-35(25-29)31-20-17-27(23-40(31)47-39)28-18-21-32-33-12-8-13-34(42(33)48-41(32)24-28)43-45-36-14-5-7-16-38(36)46(43)37-15-6-4-11-30(37)26-9-2-1-3-10-26/h1-25H
InChIKeyYEKBBVZLBXVONU-UHFFFAOYSA-N
MW636.75 g/mol
LogP12.43
Rot. Bonds4

About 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole

2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole (PubChem CID 156660111) has the molecular formula C43H25FN2OS and a molecular weight of 636.75 g/mol. Its IUPAC name is 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole
PubChem CID156660111
Molecular FormulaC43H25FN2OS
Molecular Weight636.75 g/mol
Exact Mass636.17
IUPAC Name2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole
SMILESFc1ccc2oc3cc(-c4ccc5c(c4)sc4c(-c6nc7ccccc7n6-c6ccccc6-c6ccccc6)cccc45)ccc3c2c1
InChIInChI=1S/C43H25FN2OS/c44-29-19-22-39-35(25-29)31-20-17-27(23-40(31)47-39)28-18-21-32-33-12-8-13-34(42(33)48-41(32)24-28)43-45-36-14-5-7-16-38(36)46(43)37-15-6-4-11-30(37)26-9-2-1-3-10-26/h1-25H
InChIKeyYEKBBVZLBXVONU-UHFFFAOYSA-N
XLogP12.43
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(7,9-Difluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-phenylbenzimidazol-1-ium
CID 147061718
2-(1,7-Difluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium
CID 147101258
2-(1,7-Difluoro-3-methyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium
CID 147400902
2-(1,7-Difluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-phenylbenzimidazol-1-ium
CID 147917757
2-(7-Fluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-phenylbenzimidazol-1-ium
CID 148204908
2-(7-Fluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-(2-propan-2-ylphenyl)benzimidazol-1-ium
CID 148651372
2-(7,9-Difluoro-2-methyldibenzofuran-3-yl)-1-methyl-3-phenylbenzimidazol-1-ium
CID 148985886

Frequently Asked Questions

What is the IUPAC name of 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole?
The IUPAC name of 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole (CID 156660111) is 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole.
What is the SMILES notation for 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole?
The canonical SMILES for 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole is Fc1ccc2oc3cc(-c4ccc5c(c4)sc4c(-c6nc7ccccc7n6-c6ccccc6-c6ccccc6)cccc45)ccc3c2c1.
What is the InChIKey of 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole?
The InChIKey is YEKBBVZLBXVONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25FN2OS/c44-29-19-22-39-35(25-29)31-20-17-27(23-40(31)47-39)28-18-21-32-33-12-8-13-34(42(33)48-41(32)24-28)43-45-36-14-5-7-16-38(36)46(43)37-15-6-4-11-30(37)26-9-2-1-3-10-26/h1-25H.
What are the key properties of 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole?
2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole has a molecular weight of 636.75 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(8-fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole is sourced from PubChem (CID 156660111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).