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

C24H21BrN2 — CID 142385026

IUPAC4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
SMILESBrc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC
InChIInChI=1S/C22H15BrN2.C2H6/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17;1-2/h1-15H;1-2H3
InChIKeyWHWZFQMTRQXCQI-UHFFFAOYSA-N
MW417.35 g/mol
LogP7.27
Rot. Bonds3

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

4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane (PubChem CID 142385026) has the molecular formula C24H21BrN2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane.

Molecular Properties

Compound Name4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
PubChem CID142385026
Molecular FormulaC24H21BrN2
Molecular Weight417.35 g/mol
Exact Mass416.09
IUPAC Name4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
SMILESBrc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC
InChIInChI=1S/C22H15BrN2.C2H6/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17;1-2/h1-15H;1-2H3
InChIKeyWHWZFQMTRQXCQI-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.35
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane 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

4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 122548824
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 58943669
4-bromo-2,6-diphenylpyrimidine;ethane
CID 142370256
2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine
CID 118259484

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane?
The IUPAC name of 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane (CID 142385026) is 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane.
What is the SMILES notation for 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane?
The canonical SMILES for 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane is Brc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC.
What is the InChIKey of 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane?
The InChIKey is WHWZFQMTRQXCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2.C2H6/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17;1-2/h1-15H;1-2H3.
What are the key properties of 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane?
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane has a molecular weight of 417.35 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane is sourced from PubChem (CID 142385026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).