4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine

C29H20N2S — CID 148792631

IUPAC4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
SMILESCc1cc(-c2cccc3c2sc2ccccc23)nc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C29H20N2S/c1-19-18-26(25-16-9-15-23-22-13-7-8-17-27(22)32-28(23)25)31-29(30-19)24-14-6-5-12-21(24)20-10-3-2-4-11-20/h2-18H,1H3
InChIKeyOMLWLSKVSBHBHA-UHFFFAOYSA-N
MW428.56 g/mol
LogP8.15
Rot. Bonds3

About 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine

4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine (PubChem CID 148792631) has the molecular formula C29H20N2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
PubChem CID148792631
Molecular FormulaC29H20N2S
Molecular Weight428.56 g/mol
Exact Mass428.13
IUPAC Name4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
SMILESCc1cc(-c2cccc3c2sc2ccccc23)nc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C29H20N2S/c1-19-18-26(25-16-9-15-23-22-13-7-8-17-27(22)32-28(23)25)31-29(30-19)24-14-6-5-12-21(24)20-10-3-2-4-11-20/h2-18H,1H3
InChIKeyOMLWLSKVSBHBHA-UHFFFAOYSA-N
XLogP8.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-dibenzothiophen-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-(2-phenylphenyl)pyrimidine
CID 165160254
4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
CID 130262265
4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
CID 153287998
2-dibenzothiophen-4-yl-4-iodo-6-(2-phenylphenyl)pyrimidine
CID 146943637
4,6-di(dibenzothiophen-4-yl)-2-[4-phenyl-2-(3-phenylphenyl)phenyl]pyrimidine
CID 167349703
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349309
4,6-di(dibenzothiophen-4-yl)-2-[2-phenyl-6-(3-phenylphenyl)phenyl]pyrimidine
CID 167349739
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632515
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632160

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine (CID 148792631) is 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine is Cc1cc(-c2cccc3c2sc2ccccc23)nc(-c2ccccc2-c2ccccc2)n1.
What is the InChIKey of 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine?
The InChIKey is OMLWLSKVSBHBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2S/c1-19-18-26(25-16-9-15-23-22-13-7-8-17-27(22)32-28(23)25)31-29(30-19)24-14-6-5-12-21(24)20-10-3-2-4-11-20/h2-18H,1H3.
What are the key properties of 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine?
4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine has a molecular weight of 428.56 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 148792631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).