2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole

C43H25FN2OS — CID 167355382

IUPAC2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole
SMILESFc1cc(-c2ccccc2)cc2c1oc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3-c3ccccc3)cccc12
InChIInChI=1S/C43H25FN2OS/c44-33-25-28(26-12-3-1-4-13-26)24-32-29-17-11-18-31(41(29)47-42(32)33)43-45-34-19-8-9-20-35(34)46(43)36-22-23-38-40(30-16-7-10-21-37(30)48-38)39(36)27-14-5-2-6-15-27/h1-25H
InChIKeyRLEPAACGGUDHSW-UHFFFAOYSA-N
MW636.75 g/mol
LogP12.43
Rot. Bonds4

About 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole

2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole (PubChem CID 167355382) has the molecular formula C43H25FN2OS and a molecular weight of 636.75 g/mol. Its IUPAC name is 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole.

Molecular Properties

Compound Name2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole
PubChem CID167355382
Molecular FormulaC43H25FN2OS
Molecular Weight636.75 g/mol
Exact Mass636.17
IUPAC Name2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole
SMILESFc1cc(-c2ccccc2)cc2c1oc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3-c3ccccc3)cccc12
InChIInChI=1S/C43H25FN2OS/c44-33-25-28(26-12-3-1-4-13-26)24-32-29-17-11-18-31(41(29)47-42(32)33)43-45-34-19-8-9-20-35(34)46(43)36-22-23-38-40(30-16-7-10-21-37(30)48-38)39(36)27-14-5-2-6-15-27/h1-25H
InChIKeyRLEPAACGGUDHSW-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

Analyze 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole?
The IUPAC name of 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole (CID 167355382) is 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole.
What is the SMILES notation for 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole?
The canonical SMILES for 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole is Fc1cc(-c2ccccc2)cc2c1oc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3-c3ccccc3)cccc12.
What is the InChIKey of 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole?
The InChIKey is RLEPAACGGUDHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25FN2OS/c44-33-25-28(26-12-3-1-4-13-26)24-32-29-17-11-18-31(41(29)47-42(32)33)43-45-34-19-8-9-20-35(34)46(43)36-22-23-38-40(30-16-7-10-21-37(30)48-38)39(36)27-14-5-2-6-15-27/h1-25H.
What are the key properties of 2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole?
2-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)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-(6-fluoro-8-phenyldibenzofuran-4-yl)-1-(1-phenyldibenzothiophen-2-yl)benzimidazole is sourced from PubChem (CID 167355382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).