2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine

C23H16N2O — CID 153287816

IUPAC2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C23H16N2O/c1-15-14-20(16-8-3-2-4-9-16)25-23(24-15)19-12-7-11-18-17-10-5-6-13-21(17)26-22(18)19/h2-14H,1H3
InChIKeyQEOFKQKTXQHLCX-UHFFFAOYSA-N
MW336.39 g/mol
LogP6.02
Rot. Bonds2

About 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine

2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine (PubChem CID 153287816) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
PubChem CID153287816
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C23H16N2O/c1-15-14-20(16-8-3-2-4-9-16)25-23(24-15)19-12-7-11-18-17-10-5-6-13-21(17)26-22(18)19/h2-14H,1H3
InChIKeyQEOFKQKTXQHLCX-UHFFFAOYSA-N
XLogP6.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine 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-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 129223980
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine
CID 153093289
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyrimidine
CID 166952923
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine (CID 153287816) is 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine is Cc1cc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine?
The InChIKey is QEOFKQKTXQHLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-15-14-20(16-8-3-2-4-9-16)25-23(24-15)19-12-7-11-18-17-10-5-6-13-21(17)26-22(18)19/h2-14H,1H3.
What are the key properties of 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine?
2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine has a molecular weight of 336.39 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine is sourced from PubChem (CID 153287816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).