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

C37H23FN2O — CID 156657564

IUPAC2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole
SMILESFc1cccc2nc(-c3cccc4c3oc3ccccc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12
InChIInChI=1S/C37H23FN2O/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
InChIKeyCNSWCQTWDOOTED-UHFFFAOYSA-N
MW530.60 g/mol
LogP10.06
Rot. Bonds4

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

2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole (PubChem CID 156657564) has the molecular formula C37H23FN2O and a molecular weight of 530.60 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole
PubChem CID156657564
Molecular FormulaC37H23FN2O
Molecular Weight530.60 g/mol
Exact Mass530.18
IUPAC Name2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole
SMILESFc1cccc2nc(-c3cccc4c3oc3ccccc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12
InChIInChI=1S/C37H23FN2O/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
InChIKeyCNSWCQTWDOOTED-UHFFFAOYSA-N
XLogP10.06
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.60
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole?
The IUPAC name of 2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole (CID 156657564) is 2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole.
What is the SMILES notation for 2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole?
The canonical SMILES for 2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole is Fc1cccc2nc(-c3cccc4c3oc3ccccc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.
What is the InChIKey of 2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole?
The InChIKey is CNSWCQTWDOOTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23FN2O/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-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole?
2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole has a molecular weight of 530.60 g/mol, XLogP of 10.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole is sourced from PubChem (CID 156657564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).