4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine

C29H20N2O — CID 149371859

IUPAC4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C29H20N2O/c1-19-30-26(22-13-11-21(12-14-22)20-7-3-2-4-8-20)18-27(31-19)23-15-16-25-24-9-5-6-10-28(24)32-29(25)17-23/h2-18H,1H3
InChIKeyYJYRKNFWYLBMIM-UHFFFAOYSA-N
MW412.49 g/mol
LogP7.69
Rot. Bonds3

About 4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine

4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 149371859) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
PubChem CID149371859
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C29H20N2O/c1-19-30-26(22-13-11-21(12-14-22)20-7-3-2-4-8-20)18-27(31-19)23-15-16-25-24-9-5-6-10-28(24)32-29(25)17-23/h2-18H,1H3
InChIKeyYJYRKNFWYLBMIM-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-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine
CID 164799736
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
CID 139304383
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257
4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine
CID 149347803
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
2-dibenzofuran-3-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465791
4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-2,6-diphenylpyrimidine
CID 138651146
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine (CID 149371859) is 4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine is Cc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is YJYRKNFWYLBMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c1-19-30-26(22-13-11-21(12-14-22)20-7-3-2-4-8-20)18-27(31-19)23-15-16-25-24-9-5-6-10-28(24)32-29(25)17-23/h2-18H,1H3.
What are the key properties of 4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine?
4-dibenzofuran-3-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-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 149371859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).