1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole

C37H21FN2OS — CID 171435798

IUPAC1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole
SMILESFc1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3sc4ccccc4c23)cc1
InChIInChI=1S/C37H21FN2OS/c38-23-18-16-22(17-19-23)24-20-21-28(36-34(24)27-9-2-6-15-33(27)42-36)37-39-29-11-3-4-12-30(29)40(37)31-13-7-10-26-25-8-1-5-14-32(25)41-35(26)31/h1-21H
InChIKeyACSNORUGBUKIQJ-UHFFFAOYSA-N
MW560.65 g/mol
LogP10.77
Rot. Bonds3

About 1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole

1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole (PubChem CID 171435798) has the molecular formula C37H21FN2OS and a molecular weight of 560.65 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole
PubChem CID171435798
Molecular FormulaC37H21FN2OS
Molecular Weight560.65 g/mol
Exact Mass560.14
IUPAC Name1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole
SMILESFc1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3sc4ccccc4c23)cc1
InChIInChI=1S/C37H21FN2OS/c38-23-18-16-22(17-19-23)24-20-21-28(36-34(24)27-9-2-6-15-33(27)42-36)37-39-29-11-3-4-12-30(29)40(37)31-13-7-10-26-25-8-1-5-14-32(25)41-35(26)31/h1-21H
InChIKeyACSNORUGBUKIQJ-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

4-Dibenzofuran-2-yl-6-dibenzothiophen-3-yl-2-(7-fluorodibenzothiophen-3-yl)pyrimidine
CID 138736622
11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158563
12-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158582
12-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 155159490
5-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159532
7-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole
CID 155159533
14-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-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 155159534
27-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-18-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160005
18-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-27-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160006
5-Dibenzothiophen-2-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155160010
2-Dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 155160015
6-Dibenzothiophen-2-yl-12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5-phenylindolo[3,2-c]carbazole
CID 155160158

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole?
The IUPAC name of 1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole (CID 171435798) is 1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole.
What is the SMILES notation for 1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole?
The canonical SMILES for 1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole is Fc1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3sc4ccccc4c23)cc1.
What is the InChIKey of 1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole?
The InChIKey is ACSNORUGBUKIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21FN2OS/c38-23-18-16-22(17-19-23)24-20-21-28(36-34(24)27-9-2-6-15-33(27)42-36)37-39-29-11-3-4-12-30(29)40(37)31-13-7-10-26-25-8-1-5-14-32(25)41-35(26)31/h1-21H.
What are the key properties of 1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole?
1-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-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-dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole is sourced from PubChem (CID 171435798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).