2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine

C44H24N2O3 — CID 170092620

IUPAC2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3cccc4c3oc3cccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc6c5oc5ccccc56)c34)ccc2c1
InChIInChI=1S/C44H24N2O3/c1-2-10-26-23-27(20-19-25(26)9-1)29-13-7-15-33-39-32(14-8-18-38(39)49-42(29)33)41-43-40(31-12-4-6-17-36(31)48-43)45-44(46-41)28-21-22-37-34(24-28)30-11-3-5-16-35(30)47-37/h1-24H
InChIKeyNEDDQXMBNUPJFH-UHFFFAOYSA-N
MW628.69 g/mol
LogP12.33
Rot. Bonds3

About 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine

2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170092620) has the molecular formula C44H24N2O3 and a molecular weight of 628.69 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170092620
Molecular FormulaC44H24N2O3
Molecular Weight628.69 g/mol
Exact Mass628.18
IUPAC Name2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3cccc4c3oc3cccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc6c5oc5ccccc56)c34)ccc2c1
InChIInChI=1S/C44H24N2O3/c1-2-10-26-23-27(20-19-25(26)9-1)29-13-7-15-33-39-32(14-8-18-38(39)49-42(29)33)41-43-40(31-12-4-6-17-36(31)48-43)45-44(46-41)28-21-22-37-34(24-28)30-11-3-5-16-35(30)47-37/h1-24H
InChIKeyNEDDQXMBNUPJFH-UHFFFAOYSA-N
XLogP12.33
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.69
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092567
2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092573
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
2-(8-dibenzofuran-4-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 170363776
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 129128925
4-dibenzofuran-1-yl-2-(8-dibenzofuran-2-yldibenzofuran-2-yl)-7-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 167047576
4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 164829303

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 170092620) is 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc2cc(-c3cccc4c3oc3cccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc6c5oc5ccccc56)c34)ccc2c1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is NEDDQXMBNUPJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N2O3/c1-2-10-26-23-27(20-19-25(26)9-1)29-13-7-15-33-39-32(14-8-18-38(39)49-42(29)33)41-43-40(31-12-4-6-17-36(31)48-43)45-44(46-41)28-21-22-37-34(24-28)30-11-3-5-16-35(30)47-37/h1-24H.
What are the key properties of 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 628.69 g/mol, XLogP of 12.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170092620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).