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

C33H21N3S — CID 130262859

IUPAC4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc(-c4ccccn4)c3)n2)cc1
InChIInChI=1S/C33H21N3S/c1-2-9-22(10-3-1)29-21-30(24-16-17-32-27(20-24)26-13-4-5-15-31(26)37-32)36-33(35-29)25-12-8-11-23(19-25)28-14-6-7-18-34-28/h1-21H
InChIKeyXBCVUSWQCPVMPU-UHFFFAOYSA-N
MW491.62 g/mol
LogP8.91
Rot. Bonds4

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

4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine (PubChem CID 130262859) has the molecular formula C33H21N3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
PubChem CID130262859
Molecular FormulaC33H21N3S
Molecular Weight491.62 g/mol
Exact Mass491.15
IUPAC Name4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc(-c4ccccn4)c3)n2)cc1
InChIInChI=1S/C33H21N3S/c1-2-9-22(10-3-1)29-21-30(24-16-17-32-27(20-24)26-13-4-5-15-31(26)37-32)36-33(35-29)25-12-8-11-23(19-25)28-14-6-7-18-34-28/h1-21H
InChIKeyXBCVUSWQCPVMPU-UHFFFAOYSA-N
XLogP8.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130263179
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 130263187
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(4-pyrimidin-2-ylphenyl)pyrimidine
CID 130262505
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-4-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262550
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583426
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 161455917
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261959
4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine
CID 130270435
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine (CID 130262859) is 4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc(-c4ccccn4)c3)n2)cc1.
What is the InChIKey of 4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is XBCVUSWQCPVMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3S/c1-2-9-22(10-3-1)29-21-30(24-16-17-32-27(20-24)26-13-4-5-15-31(26)37-32)36-33(35-29)25-12-8-11-23(19-25)28-14-6-7-18-34-28/h1-21H.
What are the key properties of 4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine?
4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 491.62 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 130262859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).