2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine

C42H24N4OS — CID 118477944

IUPAC2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine
SMILESc1cc(-c2cnc(-c3cccc4c3oc3ccccc34)nc2)c2ccc(-c3cnc(-c4cccc5c4sc4ccccc45)nc3)cc2c1
InChIInChI=1S/C42H24N4OS/c1-3-16-37-31(9-1)33-12-6-14-35(39(33)47-37)41-45-23-28(24-46-41)29-11-5-8-26-20-25(18-19-30(26)29)27-21-43-42(44-22-27)36-15-7-13-34-32-10-2-4-17-38(32)48-40(34)36/h1-24H
InChIKeyCSZLLEFEVPRZOW-UHFFFAOYSA-N
MW632.75 g/mol
LogP11.36
Rot. Bonds4

About 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine

2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine (PubChem CID 118477944) has the molecular formula C42H24N4OS and a molecular weight of 632.75 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine
PubChem CID118477944
Molecular FormulaC42H24N4OS
Molecular Weight632.75 g/mol
Exact Mass632.17
IUPAC Name2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine
SMILESc1cc(-c2cnc(-c3cccc4c3oc3ccccc34)nc2)c2ccc(-c3cnc(-c4cccc5c4sc4ccccc45)nc3)cc2c1
InChIInChI=1S/C42H24N4OS/c1-3-16-37-31(9-1)33-12-6-14-35(39(33)47-37)41-45-23-28(24-46-41)29-11-5-8-26-20-25(18-19-30(26)29)27-21-43-42(44-22-27)36-15-7-13-34-32-10-2-4-17-38(32)48-40(34)36/h1-24H
InChIKeyCSZLLEFEVPRZOW-UHFFFAOYSA-N
XLogP11.36
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.75
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine 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-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine (CID 118477944) is 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine is c1cc(-c2cnc(-c3cccc4c3oc3ccccc34)nc2)c2ccc(-c3cnc(-c4cccc5c4sc4ccccc45)nc3)cc2c1.
What is the InChIKey of 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine?
The InChIKey is CSZLLEFEVPRZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4OS/c1-3-16-37-31(9-1)33-12-6-14-35(39(33)47-37)41-45-23-28(24-46-41)29-11-5-8-26-20-25(18-19-30(26)29)27-21-43-42(44-22-27)36-15-7-13-34-32-10-2-4-17-38(32)48-40(34)36/h1-24H.
What are the key properties of 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine?
2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine has a molecular weight of 632.75 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine is sourced from PubChem (CID 118477944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).