4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine

C28H19N3S — CID 155603301

IUPAC4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCc1nc(-c2ccc(-c3cccnc3)cc2)cc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C28H19N3S/c1-18-30-25(20-10-8-19(9-11-20)22-5-4-14-29-17-22)16-26(31-18)21-12-13-24-23-6-2-3-7-27(23)32-28(24)15-21/h2-17H,1H3
InChIKeyYIQJIRFLPCBVIJ-UHFFFAOYSA-N
MW429.55 g/mol
LogP7.55
Rot. Bonds3

About 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine

4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 155603301) has the molecular formula C28H19N3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID155603301
Molecular FormulaC28H19N3S
Molecular Weight429.55 g/mol
Exact Mass429.13
IUPAC Name4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCc1nc(-c2ccc(-c3cccnc3)cc2)cc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C28H19N3S/c1-18-30-25(20-10-8-19(9-11-20)22-5-4-14-29-17-22)16-26(31-18)21-12-13-24-23-6-2-3-7-27(23)32-28(24)15-21/h2-17H,1H3
InChIKeyYIQJIRFLPCBVIJ-UHFFFAOYSA-N
XLogP7.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzothiophen-3-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155603267
2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262719
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584707
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263335
2,4-diphenyl-6-[8-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155329014
4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;ethane
CID 145088979
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171585774
4-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 164848878
4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130262033
7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-3-ylphenyl]dibenzothiophene-3-carbonitrile
CID 171422051
9-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)-5-pyridin-3-ylphenyl]carbazole
CID 154950092
4-(3,5-diphenylphenyl)-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4,6-dipyridin-4-ylpyrimidine;2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-pyridin-4-ylpyrimidine;2-methyl-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 159471175

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 155603301) is 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine is Cc1nc(-c2ccc(-c3cccnc3)cc2)cc(-c2ccc3c(c2)sc2ccccc23)n1.
What is the InChIKey of 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is YIQJIRFLPCBVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3S/c1-18-30-25(20-10-8-19(9-11-20)22-5-4-14-29-17-22)16-26(31-18)21-12-13-24-23-6-2-3-7-27(23)32-28(24)15-21/h2-17H,1H3.
What are the key properties of 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 429.55 g/mol, XLogP of 7.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 155603301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).