4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine

C30H24N2 — CID 118345386

IUPAC4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
SMILESCc1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(C)cc4)n3)c2)cc1
InChIInChI=1S/C30H24N2/c1-21-11-15-23(16-12-21)26-9-6-10-27(19-26)30-31-28(24-7-4-3-5-8-24)20-29(32-30)25-17-13-22(2)14-18-25/h3-20H,1-2H3
InChIKeyHWNWZMFTFQAHSR-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.76
Rot. Bonds4

About 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine

4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine (PubChem CID 118345386) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
PubChem CID118345386
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
SMILESCc1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(C)cc4)n3)c2)cc1
InChIInChI=1S/C30H24N2/c1-21-11-15-23(16-12-21)26-9-6-10-27(19-26)30-31-28(24-7-4-3-5-8-24)20-29(32-30)25-17-13-22(2)14-18-25/h3-20H,1-2H3
InChIKeyHWNWZMFTFQAHSR-UHFFFAOYSA-N
XLogP7.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
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-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
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-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine?
The IUPAC name of 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine (CID 118345386) is 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine is Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(C)cc4)n3)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine?
The InChIKey is HWNWZMFTFQAHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-21-11-15-23(16-12-21)26-9-6-10-27(19-26)30-31-28(24-7-4-3-5-8-24)20-29(32-30)25-17-13-22(2)14-18-25/h3-20H,1-2H3.
What are the key properties of 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine?
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine has a molecular weight of 412.54 g/mol, XLogP of 7.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 118345386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).