4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine

C29H20N2O — CID 149347803

IUPAC4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)cc(-c2ccc(-c3cccc4oc5ccccc5c34)cc2)n1
InChIInChI=1S/C29H20N2O/c1-19-30-25(21-8-3-2-4-9-21)18-26(31-19)22-16-14-20(15-17-22)23-11-7-13-28-29(23)24-10-5-6-12-27(24)32-28/h2-18H,1H3
InChIKeyYFKIQQYZGQRLEC-UHFFFAOYSA-N
MW412.49 g/mol
LogP7.69
Rot. Bonds3

About 4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine

4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine (PubChem CID 149347803) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine
PubChem CID149347803
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)cc(-c2ccc(-c3cccc4oc5ccccc5c34)cc2)n1
InChIInChI=1S/C29H20N2O/c1-19-30-25(21-8-3-2-4-9-21)18-26(31-19)22-16-14-20(15-17-22)23-11-7-13-28-29(23)24-10-5-6-12-27(24)32-28/h2-18H,1H3
InChIKeyYFKIQQYZGQRLEC-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-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
2-[2-[3-(4-dibenzofuran-1-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 174268136
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 121460845
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160830138
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257
4-(4-dibenzofuran-1-ylphenyl)-2-[11-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165150437
4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 149371859

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine?
The IUPAC name of 4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine (CID 149347803) is 4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine is Cc1nc(-c2ccccc2)cc(-c2ccc(-c3cccc4oc5ccccc5c34)cc2)n1.
What is the InChIKey of 4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine?
The InChIKey is YFKIQQYZGQRLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c1-19-30-25(21-8-3-2-4-9-21)18-26(31-19)22-16-14-20(15-17-22)23-11-7-13-28-29(23)24-10-5-6-12-27(24)32-28/h2-18H,1H3.
What are the key properties of 4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine?
4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine 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-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine is sourced from PubChem (CID 149347803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).