2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole

C37H23FN2S — CID 156658129

IUPAC2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole
SMILESFc1cccc2nc(-c3cccc4c3sc3ccccc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12
InChIInChI=1S/C37H23FN2S/c38-31-18-10-19-32-35(31)40(37(39-32)30-17-9-16-29-28-15-7-8-20-34(28)41-36(29)30)33-23-26(24-11-3-1-4-12-24)21-22-27(33)25-13-5-2-6-14-25/h1-23H
InChIKeyJMNIORINGOXMGI-UHFFFAOYSA-N
MW546.67 g/mol
LogP10.53
Rot. Bonds4

About 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole

2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole (PubChem CID 156658129) has the molecular formula C37H23FN2S and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole
PubChem CID156658129
Molecular FormulaC37H23FN2S
Molecular Weight546.67 g/mol
Exact Mass546.16
IUPAC Name2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole
SMILESFc1cccc2nc(-c3cccc4c3sc3ccccc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12
InChIInChI=1S/C37H23FN2S/c38-31-18-10-19-32-35(31)40(37(39-32)30-17-9-16-29-28-15-7-8-20-34(28)41-36(29)30)33-23-26(24-11-3-1-4-12-24)21-22-27(33)25-13-5-2-6-14-25/h1-23H
InChIKeyJMNIORINGOXMGI-UHFFFAOYSA-N
XLogP10.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole
CID 167356304
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole
CID 172500199
8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 156668334
3-dibenzothiophen-4-yl-9-[3-(1,7-diphenylbenzimidazol-2-yl)phenyl]carbazole
CID 67818577
1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole
CID 156657787
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole?
The IUPAC name of 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole (CID 156658129) is 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole.
What is the SMILES notation for 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole?
The canonical SMILES for 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole is Fc1cccc2nc(-c3cccc4c3sc3ccccc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.
What is the InChIKey of 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole?
The InChIKey is JMNIORINGOXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23FN2S/c38-31-18-10-19-32-35(31)40(37(39-32)30-17-9-16-29-28-15-7-8-20-34(28)41-36(29)30)33-23-26(24-11-3-1-4-12-24)21-22-27(33)25-13-5-2-6-14-25/h1-23H.
What are the key properties of 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole?
2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole has a molecular weight of 546.67 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole is sourced from PubChem (CID 156658129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).