2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine

C29H22N2 — CID 121315996

IUPAC2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
SMILESCc1cccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C29H22N2/c1-21-10-8-15-24(18-21)25-16-9-17-26(19-25)29-30-27(22-11-4-2-5-12-22)20-28(31-29)23-13-6-3-7-14-23/h2-20H,1H3
InChIKeyVFINWXNDOABJHI-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.45
Rot. Bonds4

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

2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 121315996) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
PubChem CID121315996
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
SMILESCc1cccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C29H22N2/c1-21-10-8-15-24(18-21)25-16-9-17-26(19-25)29-30-27(22-11-4-2-5-12-22)20-28(31-29)23-13-6-3-7-14-23/h2-20H,1H3
InChIKeyVFINWXNDOABJHI-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

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Related Compounds

4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
CID 59552862
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
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
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
ethane;4-(3-methylphenyl)-2,6-diphenylpyridine
CID 144632055
4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 161052183
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
4-[3,5-bis(3-methylphenyl)phenyl]-2,6-diphenylpyridine;4-[3-(3-methylphenyl)-5-(4-methylphenyl)phenyl]-2,6-diphenylpyridine
CID 91503423

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine (CID 121315996) is 2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine is Cc1cccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is VFINWXNDOABJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-21-10-8-15-24(18-21)25-16-9-17-26(19-25)29-30-27(22-11-4-2-5-12-22)20-28(31-29)23-13-6-3-7-14-23/h2-20H,1H3.
What are the key properties of 2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine?
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine 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-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 121315996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).