4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine

C29H20N2O — CID 146717257

IUPAC4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C29H20N2O/c1-19-30-26(22-16-14-21(15-17-22)20-8-3-2-4-9-20)18-27(31-19)25-12-7-11-24-23-10-5-6-13-28(23)32-29(24)25/h2-18H,1H3
InChIKeyREALLOGIWVIYRX-UHFFFAOYSA-N
MW412.49 g/mol
LogP7.69
Rot. Bonds3

About 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine

4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 146717257) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
PubChem CID146717257
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C29H20N2O/c1-19-30-26(22-16-14-21(15-17-22)20-8-3-2-4-9-20)18-27(31-19)25-12-7-11-24-23-10-5-6-13-28(23)32-29(24)25/h2-18H,1H3
InChIKeyREALLOGIWVIYRX-UHFFFAOYSA-N
XLogP7.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349519
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155603249
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine
CID 149347803
4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 149371859
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349534
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
CID 153287816
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine (CID 146717257) is 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine is Cc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2cccc3c2oc2ccccc23)n1.
What is the InChIKey of 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is REALLOGIWVIYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c1-19-30-26(22-16-14-21(15-17-22)20-8-3-2-4-9-20)18-27(31-19)25-12-7-11-24-23-10-5-6-13-28(23)32-29(24)25/h2-18H,1H3.
What are the key properties of 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine?
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 412.49 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 146717257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).