2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole

C35H19FN2OS — CID 167355045

IUPAC2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole
SMILESFc1ccc2oc3c(-n4c(-c5cccc6c5sc5ccccc56)nc5cc6ccccc6cc54)cccc3c2c1
InChIInChI=1S/C35H19FN2OS/c36-22-15-16-31-27(19-22)24-10-6-13-29(33(24)39-31)38-30-18-21-8-2-1-7-20(21)17-28(30)37-35(38)26-12-5-11-25-23-9-3-4-14-32(23)40-34(25)26/h1-19H
InChIKeySNZALXHGHSALTI-UHFFFAOYSA-N
MW534.62 g/mol
LogP10.25
Rot. Bonds2

About 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole

2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole (PubChem CID 167355045) has the molecular formula C35H19FN2OS and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole
PubChem CID167355045
Molecular FormulaC35H19FN2OS
Molecular Weight534.62 g/mol
Exact Mass534.12
IUPAC Name2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole
SMILESFc1ccc2oc3c(-n4c(-c5cccc6c5sc5ccccc56)nc5cc6ccccc6cc54)cccc3c2c1
InChIInChI=1S/C35H19FN2OS/c36-22-15-16-31-27(19-22)24-10-6-13-29(33(24)39-31)38-30-18-21-8-2-1-7-20(21)17-28(30)37-35(38)26-12-5-11-25-23-9-3-4-14-32(23)40-34(25)26/h1-19H
InChIKeySNZALXHGHSALTI-UHFFFAOYSA-N
XLogP10.25
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(4-Fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-3-yl]phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 132080931
3-[4-[2-(4-Fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-3-yl]phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11(16),12,18(27),19,21,23,25-dodecaene
CID 134549901
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole?
The IUPAC name of 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole (CID 167355045) is 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole.
What is the SMILES notation for 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole?
The canonical SMILES for 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole is Fc1ccc2oc3c(-n4c(-c5cccc6c5sc5ccccc56)nc5cc6ccccc6cc54)cccc3c2c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole?
The InChIKey is SNZALXHGHSALTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19FN2OS/c36-22-15-16-31-27(19-22)24-10-6-13-29(33(24)39-31)38-30-18-21-8-2-1-7-20(21)17-28(30)37-35(38)26-12-5-11-25-23-9-3-4-14-32(23)40-34(25)26/h1-19H.
What are the key properties of 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole?
2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole has a molecular weight of 534.62 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole is sourced from PubChem (CID 167355045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).