2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine

C21H15N3 — CID 174849624

IUPAC2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2nccc(-c3cccc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/C21H15N3/c1-2-5-17(6-3-1)21-23-14-11-20(24-21)19-8-4-7-18(15-19)16-9-12-22-13-10-16/h1-15H
InChIKeyCKWHRWAAGNAVOE-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.87
Rot. Bonds3

About 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine

2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine (PubChem CID 174849624) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
PubChem CID174849624
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2nccc(-c3cccc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/C21H15N3/c1-2-5-17(6-3-1)21-23-14-11-20(24-21)19-8-4-7-18(15-19)16-9-12-22-13-10-16/h1-15H
InChIKeyCKWHRWAAGNAVOE-UHFFFAOYSA-N
XLogP4.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-1,3,5-triazine
CID 159229968
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;yttrium
CID 59738567
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
CID 16637811
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine (CID 174849624) is 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2nccc(-c3cccc(-c4ccncc4)c3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is CKWHRWAAGNAVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c1-2-5-17(6-3-1)21-23-14-11-20(24-21)19-8-4-7-18(15-19)16-9-12-22-13-10-16/h1-15H.
What are the key properties of 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine?
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 309.37 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 174849624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).