4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine

C33H20BrN3S — CID 149414750

IUPAC4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
SMILESBrc1cc(-c2cccnc2)cc(-c2cc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C33H20BrN3S/c34-26-16-24(23-9-6-14-35-20-23)15-25(17-26)30-19-29(36-33(37-30)21-7-2-1-3-8-21)22-12-13-32-28(18-22)27-10-4-5-11-31(27)38-32/h1-20H
InChIKeyYRYNQYYIKHCSKP-UHFFFAOYSA-N
MW570.52 g/mol
LogP9.67
Rot. Bonds4

About 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine

4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine (PubChem CID 149414750) has the molecular formula C33H20BrN3S and a molecular weight of 570.52 g/mol. Its IUPAC name is 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
PubChem CID149414750
Molecular FormulaC33H20BrN3S
Molecular Weight570.52 g/mol
Exact Mass569.06
IUPAC Name4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
SMILESBrc1cc(-c2cccnc2)cc(-c2cc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C33H20BrN3S/c34-26-16-24(23-9-6-14-35-20-23)15-25(17-26)30-19-29(36-33(37-30)21-7-2-1-3-8-21)22-12-13-32-28(18-22)27-10-4-5-11-31(27)38-32/h1-20H
InChIKeyYRYNQYYIKHCSKP-UHFFFAOYSA-N
XLogP9.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.52
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine 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-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171585774
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263335
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584707
4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130263265
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160765748
2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262719
4-dibenzothiophen-2-yl-6-phenanthren-9-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262306
2-[3-bromo-5-(4-pyridin-3-ylphenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 152888267
9-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)-5-pyridin-3-ylphenyl]carbazole
CID 154950092
4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;ethane
CID 145088979
4-(3-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465763

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine?
The IUPAC name of 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine (CID 149414750) is 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine?
The canonical SMILES for 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine is Brc1cc(-c2cccnc2)cc(-c2cc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine?
The InChIKey is YRYNQYYIKHCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20BrN3S/c34-26-16-24(23-9-6-14-35-20-23)15-25(17-26)30-19-29(36-33(37-30)21-7-2-1-3-8-21)22-12-13-32-28(18-22)27-10-4-5-11-31(27)38-32/h1-20H.
What are the key properties of 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine?
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine has a molecular weight of 570.52 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine is sourced from PubChem (CID 149414750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).