2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine

C33H23N3 — CID 165168331

IUPAC2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccncc5)cc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H23N3/c1-3-8-27(9-4-1)31-23-32(36-33(35-31)28-10-5-2-6-11-28)30-13-7-12-29(22-30)25-16-14-24(15-17-25)26-18-20-34-21-19-26/h1-23H
InChIKeyVSJSLQLATHVVNA-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.21
Rot. Bonds5

About 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine

2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine (PubChem CID 165168331) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
PubChem CID165168331
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC Name2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccncc5)cc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H23N3/c1-3-8-27(9-4-1)31-23-32(36-33(35-31)28-10-5-2-6-11-28)30-13-7-12-29(22-30)25-16-14-24(15-17-25)26-18-20-34-21-19-26/h1-23H
InChIKeyVSJSLQLATHVVNA-UHFFFAOYSA-N
XLogP8.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 175141868
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163630452
2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine (CID 165168331) is 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccncc5)cc4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine?
The InChIKey is VSJSLQLATHVVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-3-8-27(9-4-1)31-23-32(36-33(35-31)28-10-5-2-6-11-28)30-13-7-12-29(22-30)25-16-14-24(15-17-25)26-18-20-34-21-19-26/h1-23H.
What are the key properties of 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine?
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine has a molecular weight of 461.57 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 165168331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).