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

C24H18N2S — CID 159342379

IUPAC2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2cc(C)nc(-c3cccc4c3sc3ccccc34)n2)c1[2H]
InChIInChI=1S/C24H18N2S/c1-15-7-5-8-17(13-15)21-14-16(2)25-24(26-21)20-11-6-10-19-18-9-3-4-12-22(18)27-23(19)20/h3-14H,1-2H3/i5D,7D,8D,13D
InChIKeyIWBPYMKKOSMYEA-MVWVGZMCSA-N
MW370.51 g/mol
LogP6.80
Rot. Bonds2

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

2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine (PubChem CID 159342379) has the molecular formula C24H18N2S and a molecular weight of 370.51 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
PubChem CID159342379
Molecular FormulaC24H18N2S
Molecular Weight370.51 g/mol
Exact Mass370.14
IUPAC Name2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2cc(C)nc(-c3cccc4c3sc3ccccc34)n2)c1[2H]
InChIInChI=1S/C24H18N2S/c1-15-7-5-8-17(13-15)21-14-16(2)25-24(26-21)20-11-6-10-19-18-9-3-4-12-22(18)27-23(19)20/h3-14H,1-2H3/i5D,7D,8D,13D
InChIKeyIWBPYMKKOSMYEA-MVWVGZMCSA-N
XLogP6.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-dibenzothiophen-3-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 158398180
4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
CID 148792631
2-dibenzothiophen-4-yl-4-(3,5-diphenylphenyl)-6-methylpyrimidine;2-dibenzothiophen-4-yl-4-methyl-6-(2-phenylphenyl)pyrimidine;2-dibenzothiophen-4-yl-4-methyl-6-(3-phenylphenyl)pyrimidine;2-dibenzothiophen-4-yl-4-methyl-6-(4-phenylphenyl)pyrimidine;2-dibenzothiophen-4-yl-4-methyl-6-phenylpyrimidine
CID 157245340
2-dibenzothiophen-4-yl-4,6-dimethyl-1,3,5-triazine
CID 134472341
2,4-diphenyl-6-spiro[fluoreno[4,3-b][1]benzothiole-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-1,3,5-triazine;2-(2,3,4,5,6-pentadeuteriophenyl)-4-spiro[fluoreno[4,3-b][1]benzothiole-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;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluoreno[4,3-b][1]benzothiole-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-1,3,5-triazine
CID 157163288
4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
CID 153287998
4-(3-dibenzothiophen-4-ylphenyl)-2-(4-methylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 146557844
2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine
CID 139442107
2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine
CID 170186944
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-dibenzothiophen-4-yl-4-[7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 168770642
2-dibenzothiophen-4-yl-4-[7-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 168770134

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine (CID 159342379) is 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine is [2H]c1c([2H])c(C)c([2H])c(-c2cc(C)nc(-c3cccc4c3sc3ccccc34)n2)c1[2H].
What is the InChIKey of 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
The InChIKey is IWBPYMKKOSMYEA-MVWVGZMCSA-N. The full InChI is InChI=1S/C24H18N2S/c1-15-7-5-8-17(13-15)21-14-16(2)25-24(26-21)20-11-6-10-19-18-9-3-4-12-22(18)27-23(19)20/h3-14H,1-2H3/i5D,7D,8D,13D.
What are the key properties of 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine?
2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine has a molecular weight of 370.51 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-methyl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine is sourced from PubChem (CID 159342379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).