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

C24H18N2O — CID 158958158

IUPAC2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2cc(C)nc(-c3ccc4oc5ccccc5c4c3)n2)c1[2H]
InChIInChI=1S/C24H18N2O/c1-15-6-5-7-17(12-15)21-13-16(2)25-24(26-21)18-10-11-23-20(14-18)19-8-3-4-9-22(19)27-23/h3-14H,1-2H3/i5D,6D,7D,12D
InChIKeyLUAJHRCCTGMCDS-HPGZLSOESA-N
MW354.45 g/mol
LogP6.33
Rot. Bonds2

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

2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine (PubChem CID 158958158) has the molecular formula C24H18N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
PubChem CID158958158
Molecular FormulaC24H18N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2cc(C)nc(-c3ccc4oc5ccccc5c4c3)n2)c1[2H]
InChIInChI=1S/C24H18N2O/c1-15-6-5-7-17(12-15)21-13-16(2)25-24(26-21)18-10-11-23-20(14-18)19-8-3-4-9-22(19)27-23/h3-14H,1-2H3/i5D,6D,7D,12D
InChIKeyLUAJHRCCTGMCDS-HPGZLSOESA-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

4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 159098046
2-dibenzofuran-3-yl-4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine
CID 153287714
4-dibenzothiophen-3-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 158398180
2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 153288146
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 159342379
2,4-di(dibenzofuran-2-yl)pyrimidine
CID 121340967
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
2-(2,3,4,5,6-pentadeuteriophenyl)-4-spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine
CID 162255021
2-(2,3,4,5,6-pentadeuteriophenyl)-4-spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-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 162170357
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
2-[10-[2,4,5,6,7,8-hexadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170662535

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine (CID 158958158) is 2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine is [2H]c1c([2H])c(C)c([2H])c(-c2cc(C)nc(-c3ccc4oc5ccccc5c4c3)n2)c1[2H].
What is the InChIKey of 2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
The InChIKey is LUAJHRCCTGMCDS-HPGZLSOESA-N. The full InChI is InChI=1S/C24H18N2O/c1-15-6-5-7-17(12-15)21-13-16(2)25-24(26-21)18-10-11-23-20(14-18)19-8-3-4-9-22(19)27-23/h3-14H,1-2H3/i5D,6D,7D,12D.
What are the key properties of 2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
2-dibenzofuran-2-yl-4-methyl-6-(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 2-dibenzofuran-2-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine is sourced from PubChem (CID 158958158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).