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

C42H24N4O2 — CID 118477891

IUPAC2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
SMILESc1ccc2c(c1)oc1c(-c3ncc(-c4ccc5cc(-c6cnc(-c7cccc8c7oc7ccccc78)nc6)ccc5c4)cn3)cccc12
InChIInChI=1S/C42H24N4O2/c1-3-13-37-31(7-1)33-9-5-11-35(39(33)47-37)41-43-21-29(22-44-41)27-17-15-26-20-28(18-16-25(26)19-27)30-23-45-42(46-24-30)36-12-6-10-34-32-8-2-4-14-38(32)48-40(34)36/h1-24H
InChIKeyBNKLWYVIYLCACQ-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.89
Rot. Bonds4

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

2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine (PubChem CID 118477891) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
PubChem CID118477891
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
SMILESc1ccc2c(c1)oc1c(-c3ncc(-c4ccc5cc(-c6cnc(-c7cccc8c7oc7ccccc78)nc6)ccc5c4)cn3)cccc12
InChIInChI=1S/C42H24N4O2/c1-3-13-37-31(7-1)33-9-5-11-35(39(33)47-37)41-43-21-29(22-44-41)27-17-15-26-20-28(18-16-25(26)19-27)30-23-45-42(46-24-30)36-12-6-10-34-32-8-2-4-14-38(32)48-40(34)36/h1-24H
InChIKeyBNKLWYVIYLCACQ-UHFFFAOYSA-N
XLogP10.89
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-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-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine (CID 118477891) is 2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine is c1ccc2c(c1)oc1c(-c3ncc(-c4ccc5cc(-c6cnc(-c7cccc8c7oc7ccccc78)nc6)ccc5c4)cn3)cccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
The InChIKey is BNKLWYVIYLCACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-3-13-37-31(7-1)33-9-5-11-35(39(33)47-37)41-43-21-29(22-44-41)27-17-15-26-20-28(18-16-25(26)19-27)30-23-45-42(46-24-30)36-12-6-10-34-32-8-2-4-14-38(32)48-40(34)36/h1-24H.
What are the key properties of 2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
2-dibenzofuran-4-yl-5-[6-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine has a molecular weight of 616.68 g/mol, XLogP of 10.89, 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-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine is sourced from PubChem (CID 118477891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).