4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine

C24H18N2O — CID 159098046

IUPAC4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2nc(C)cc(-c3cccc4oc5ccccc5c34)n2)c1[2H]
InChIInChI=1S/C24H18N2O/c1-15-7-5-8-17(13-15)24-25-16(2)14-20(26-24)18-10-6-12-22-23(18)19-9-3-4-11-21(19)27-22/h3-14H,1-2H3/i5D,7D,8D,13D
InChIKeyVGOKSTDZHAAUIO-MVWVGZMCSA-N
MW354.45 g/mol
LogP6.33
Rot. Bonds2

About 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine

4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine (PubChem CID 159098046) has the molecular formula C24H18N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
PubChem CID159098046
Molecular FormulaC24H18N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2nc(C)cc(-c3cccc4oc5ccccc5c34)n2)c1[2H]
InChIInChI=1S/C24H18N2O/c1-15-7-5-8-17(13-15)24-25-16(2)14-20(26-24)18-10-6-12-22-23(18)19-9-3-4-11-21(19)27-22/h3-14H,1-2H3/i5D,7D,8D,13D
InChIKeyVGOKSTDZHAAUIO-MVWVGZMCSA-N
XLogP6.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 158958158
2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine
CID 153287714
2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine
CID 153093289
4-dibenzothiophen-3-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 158398180
2-(4-dibenzofuran-1-ylphenyl)-4-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 176767408
2-[2,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-dibenzofuran-1-ylphenyl)-1,3,5-triazine
CID 176767400
2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171731204
2-(3-dibenzofuran-1-ylphenyl)-4-[2,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 176767393
2-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170941903
2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 168731930
1-(2-tert-butyl-3-dibenzofuran-1-ylphenyl)dibenzofuran;4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;bis(1-(2-tert-butyl-3-phenylphenyl)dibenzofuran);bis(4-(2-tert-butyl-3-phenylphenyl)dibenzofuran);bis(1-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzofuran);bis(4-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzofuran)
CID 160941710
2-(2,3,4,5,6-pentadeuteriophenyl)-4-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine
CID 158752540

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine (CID 159098046) is 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine is [2H]c1c([2H])c(C)c([2H])c(-c2nc(C)cc(-c3cccc4oc5ccccc5c34)n2)c1[2H].
What is the InChIKey of 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
The InChIKey is VGOKSTDZHAAUIO-MVWVGZMCSA-N. The full InChI is InChI=1S/C24H18N2O/c1-15-7-5-8-17(13-15)24-25-16(2)14-20(26-24)18-10-6-12-22-23(18)19-9-3-4-11-21(19)27-22/h3-14H,1-2H3/i5D,7D,8D,13D.
What are the key properties of 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine has a molecular weight of 354.45 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine is sourced from PubChem (CID 159098046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).