2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine

C29H22N2 — CID 129023209

IUPAC2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C29H22N2/c1-21-15-17-24(18-16-21)29-30-27(23-11-6-3-7-12-23)20-28(31-29)26-14-8-13-25(19-26)22-9-4-2-5-10-22/h2-20H,1H3
InChIKeyCMEDUGCGYILPBC-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.45
Rot. Bonds4

About 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine

2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 129023209) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID129023209
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C29H22N2/c1-21-15-17-24(18-16-21)29-30-27(23-11-6-3-7-12-23)20-28(31-29)26-14-8-13-25(19-26)22-9-4-2-5-10-22/h2-20H,1H3
InChIKeyCMEDUGCGYILPBC-UHFFFAOYSA-N
XLogP7.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine 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-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159273767
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-methylphenyl)-4,6-diphenylpyrimidine;4-(4-methylphenyl)-2,6-diphenylpyrimidine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyridine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyridine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 159145948
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
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine (CID 129023209) is 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine is Cc1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is CMEDUGCGYILPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-21-15-17-24(18-16-21)29-30-27(23-11-6-3-7-12-23)20-28(31-29)26-14-8-13-25(19-26)22-9-4-2-5-10-22/h2-20H,1H3.
What are the key properties of 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine?
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 398.51 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 129023209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).