ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine

C25H24N2 — CID 144569166

IUPACethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
SMILESCC.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H18N2.C2H6/c1-17-9-8-14-20(15-17)22-16-21(18-10-4-2-5-11-18)24-23(25-22)19-12-6-3-7-13-19;1-2/h2-16H,1H3;1-2H3
InChIKeyGETGQWDNVXCBEO-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.81
Rot. Bonds3

About ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine

ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine (PubChem CID 144569166) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Nameethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
PubChem CID144569166
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Nameethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
SMILESCC.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H18N2.C2H6/c1-17-9-8-14-20(15-17)22-16-21(18-10-4-2-5-11-18)24-23(25-22)19-12-6-3-7-13-19;1-2/h2-16H,1H3;1-2H3
InChIKeyGETGQWDNVXCBEO-UHFFFAOYSA-N
XLogP6.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
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-(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
4-(3-methylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 129128235
4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
CID 59552862
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
[4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649130
2-methyl-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;4-(3-methylphenyl)-6-phenylpyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;2-(3-methylphenyl)-4-phenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-1,3,5-triazine
CID 160681718

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine?
The IUPAC name of ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine (CID 144569166) is ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine.
What is the SMILES notation for ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine?
The canonical SMILES for ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine is CC.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine?
The InChIKey is GETGQWDNVXCBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2.C2H6/c1-17-9-8-14-20(15-17)22-16-21(18-10-4-2-5-11-18)24-23(25-22)19-12-6-3-7-13-19;1-2/h2-16H,1H3;1-2H3.
What are the key properties of ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine?
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine has a molecular weight of 352.48 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 144569166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).