[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite

C39H23FN4OS — CID 139421262

IUPAC[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite
SMILESFSc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c12
InChIInChI=1S/C39H23FN4OS/c40-46-35-17-9-16-34-36(35)30-23-27(19-21-33(30)45-34)26-18-20-32-29(22-26)28-14-7-8-15-31(28)44(32)39-42-37(24-10-3-1-4-11-24)41-38(43-39)25-12-5-2-6-13-25/h1-23H
InChIKeyVEQAUMISVBLKII-UHFFFAOYSA-N
MW614.71 g/mol
LogP10.85
Rot. Bonds5

About [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite

[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite (PubChem CID 139421262) has the molecular formula C39H23FN4OS and a molecular weight of 614.71 g/mol. Its IUPAC name is [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite
PubChem CID139421262
Molecular FormulaC39H23FN4OS
Molecular Weight614.71 g/mol
Exact Mass614.16
IUPAC Name[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite
SMILESFSc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c12
InChIInChI=1S/C39H23FN4OS/c40-46-35-17-9-16-34-36(35)30-23-27(19-21-33(30)45-34)26-18-20-32-29(22-26)28-14-7-8-15-31(28)44(32)39-42-37(24-10-3-1-4-11-24)41-38(43-39)25-12-5-2-6-13-25/h1-23H
InChIKeyVEQAUMISVBLKII-UHFFFAOYSA-N
XLogP10.85
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite 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 [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite?
The IUPAC name of [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite (CID 139421262) is [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite.
What is the SMILES notation for [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite?
The canonical SMILES for [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite is FSc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c12.
What is the InChIKey of [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite?
The InChIKey is VEQAUMISVBLKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4OS/c40-46-35-17-9-16-34-36(35)30-23-27(19-21-33(30)45-34)26-18-20-32-29(22-26)28-14-7-8-15-31(28)44(32)39-42-37(24-10-3-1-4-11-24)41-38(43-39)25-12-5-2-6-13-25/h1-23H.
What are the key properties of [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite?
[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite has a molecular weight of 614.71 g/mol, XLogP of 10.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite is sourced from PubChem (CID 139421262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).