2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine

C23H16N2O — CID 153287714

IUPAC2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine
SMILES[2H]c1c([2H])c([2H])c(-c2cc(C)nc(-c3ccc4c(c3)oc3ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C23H16N2O/c1-15-13-20(16-7-3-2-4-8-16)25-23(24-15)17-11-12-19-18-9-5-6-10-21(18)26-22(19)14-17/h2-14H,1H3/i2D,3D,4D,7D,8D
InChIKeyOHNPECMHCYCVCI-ATTUOBAHSA-N
MW341.42 g/mol
LogP6.02
Rot. Bonds2

About 2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine

2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine (PubChem CID 153287714) has the molecular formula C23H16N2O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine
PubChem CID153287714
Molecular FormulaC23H16N2O
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine
SMILES[2H]c1c([2H])c([2H])c(-c2cc(C)nc(-c3ccc4c(c3)oc3ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C23H16N2O/c1-15-13-20(16-7-3-2-4-8-16)25-23(24-15)17-11-12-19-18-9-5-6-10-21(18)26-22(19)14-17/h2-14H,1H3/i2D,3D,4D,7D,8D
InChIKeyOHNPECMHCYCVCI-ATTUOBAHSA-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 ≤ 500341.42
LogP ≤ 56.02
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
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098134
2,3,4,6-tetradeuterio-5-[2-(3-dibenzofuran-3-ylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 171461512
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 159098046
2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171587104
11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole
CID 165165805
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-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 153288146
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164798089
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168770032
2-dibenzofuran-4-yl-4-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 168770330

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine (CID 153287714) is 2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine is [2H]c1c([2H])c([2H])c(-c2cc(C)nc(-c3ccc4c(c3)oc3ccccc34)n2)c([2H])c1[2H].
What is the InChIKey of 2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine?
The InChIKey is OHNPECMHCYCVCI-ATTUOBAHSA-N. The full InChI is InChI=1S/C23H16N2O/c1-15-13-20(16-7-3-2-4-8-16)25-23(24-15)17-11-12-19-18-9-5-6-10-21(18)26-22(19)14-17/h2-14H,1H3/i2D,3D,4D,7D,8D.
What are the key properties of 2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine?
2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine has a molecular weight of 341.42 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-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine is sourced from PubChem (CID 153287714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).