4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine

C28H18BrFN2 — CID 129294392

IUPAC4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C28H18BrFN2/c29-24-14-10-21(11-15-24)26-18-27(22-12-16-25(30)17-13-22)32-28(31-26)23-8-6-20(7-9-23)19-4-2-1-3-5-19/h1-18H
InChIKeyHIQNQROKMWZJOK-UHFFFAOYSA-N
MW481.37 g/mol
LogP8.05
Rot. Bonds4

About 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine

4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine (PubChem CID 129294392) has the molecular formula C28H18BrFN2 and a molecular weight of 481.37 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine
PubChem CID129294392
Molecular FormulaC28H18BrFN2
Molecular Weight481.37 g/mol
Exact Mass480.06
IUPAC Name4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C28H18BrFN2/c29-24-14-10-21(11-15-24)26-18-27(22-12-16-25(30)17-13-22)32-28(31-26)23-8-6-20(7-9-23)19-4-2-1-3-5-19/h1-18H
InChIKeyHIQNQROKMWZJOK-UHFFFAOYSA-N
XLogP8.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.37
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine (CID 129294392) is 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine is Fc1ccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine?
The InChIKey is HIQNQROKMWZJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrFN2/c29-24-14-10-21(11-15-24)26-18-27(22-12-16-25(30)17-13-22)32-28(31-26)23-8-6-20(7-9-23)19-4-2-1-3-5-19/h1-18H.
What are the key properties of 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine?
4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine has a molecular weight of 481.37 g/mol, XLogP of 8.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 129294392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).