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

C33H21N3S — CID 130262265

IUPAC4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)nc(-c3ccccc3-c3ccncc3)n2)cc1
InChIInChI=1S/C33H21N3S/c1-2-9-23(10-3-1)29-21-30(28-15-8-14-26-25-12-6-7-16-31(25)37-32(26)28)36-33(35-29)27-13-5-4-11-24(27)22-17-19-34-20-18-22/h1-21H
InChIKeyPVGUOIZICQDKCD-UHFFFAOYSA-N
MW491.62 g/mol
LogP8.91
Rot. Bonds4

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

4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine (PubChem CID 130262265) has the molecular formula C33H21N3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
PubChem CID130262265
Molecular FormulaC33H21N3S
Molecular Weight491.62 g/mol
Exact Mass491.15
IUPAC Name4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)nc(-c3ccccc3-c3ccncc3)n2)cc1
InChIInChI=1S/C33H21N3S/c1-2-9-23(10-3-1)29-21-30(28-15-8-14-26-25-12-6-7-16-31(25)37-32(26)28)36-33(35-29)27-13-5-4-11-24(27)22-17-19-34-20-18-22/h1-21H
InChIKeyPVGUOIZICQDKCD-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-dibenzothiophen-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine
CID 171585253
4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 130465587
4-dibenzothiophen-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-(2-phenylphenyl)pyrimidine
CID 165160254
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130263378
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 171585810
4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
CID 148792631
4-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 171585375
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 153301922
2-dibenzothiophen-4-yl-4-iodo-6-(2-phenylphenyl)pyrimidine
CID 146943637
2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine
CID 155328556
4,6-di(dibenzothiophen-4-yl)-2-[4-phenyl-2-(3-phenylphenyl)phenyl]pyrimidine
CID 167349703
2-[2-(2-dibenzothiophen-4-ylphenyl)-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174268135

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine (CID 130262265) is 4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)nc(-c3ccccc3-c3ccncc3)n2)cc1.
What is the InChIKey of 4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is PVGUOIZICQDKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3S/c1-2-9-23(10-3-1)29-21-30(28-15-8-14-26-25-12-6-7-16-31(25)37-32(26)28)36-33(35-29)27-13-5-4-11-24(27)22-17-19-34-20-18-22/h1-21H.
What are the key properties of 4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine?
4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-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-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 130262265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).