2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine

C43H26FN5OS — CID 155050230

IUPAC2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3cccc4c3oc3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc34)ncc2Sc2ccccc2)cc1
InChIInChI=1S/C43H26FN5OS/c44-31-22-19-27(20-23-31)38-37(51-32-15-8-3-9-16-32)26-45-43(46-38)34-18-10-17-33-35-25-30(21-24-36(35)50-39(33)34)42-48-40(28-11-4-1-5-12-28)47-41(49-42)29-13-6-2-7-14-29/h1-26H
InChIKeyXCPFTYAMUQGOOY-UHFFFAOYSA-N
MW679.78 g/mol
LogP11.19
Rot. Bonds7

About 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155050230) has the molecular formula C43H26FN5OS and a molecular weight of 679.78 g/mol. Its IUPAC name is 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155050230
Molecular FormulaC43H26FN5OS
Molecular Weight679.78 g/mol
Exact Mass679.18
IUPAC Name2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3cccc4c3oc3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc34)ncc2Sc2ccccc2)cc1
InChIInChI=1S/C43H26FN5OS/c44-31-22-19-27(20-23-31)38-37(51-32-15-8-3-9-16-32)26-45-43(46-38)34-18-10-17-33-35-25-30(21-24-36(35)50-39(33)34)42-48-40(28-11-4-1-5-12-28)47-41(49-42)29-13-6-2-7-14-29/h1-26H
InChIKeyXCPFTYAMUQGOOY-UHFFFAOYSA-N
XLogP11.19
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.78
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine 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-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 155050230) is 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3cccc4c3oc3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc34)ncc2Sc2ccccc2)cc1.
What is the InChIKey of 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XCPFTYAMUQGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26FN5OS/c44-31-22-19-27(20-23-31)38-37(51-32-15-8-3-9-16-32)26-45-43(46-38)34-18-10-17-33-35-25-30(21-24-36(35)50-39(33)34)42-48-40(28-11-4-1-5-12-28)47-41(49-42)29-13-6-2-7-14-29/h1-26H.
What are the key properties of 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 679.78 g/mol, XLogP of 11.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(4-fluorophenyl)-5-phenylsulfanylpyrimidin-2-yl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155050230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).