4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine

C28H18BrFN2 — CID 146484435

IUPAC4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine
SMILESFc1ccc(-c2nc(-c3ccc(Br)cc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C28H18BrFN2/c29-24-13-9-20(10-14-24)26-18-27(32-28(31-26)21-11-15-25(30)16-12-21)23-8-4-7-22(17-23)19-5-2-1-3-6-19/h1-18H
InChIKeyZAIPAUSYAQOIAI-UHFFFAOYSA-N
MW481.37 g/mol
LogP8.05
Rot. Bonds4

About 4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine

4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine (PubChem CID 146484435) has the molecular formula C28H18BrFN2 and a molecular weight of 481.37 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine
PubChem CID146484435
Molecular FormulaC28H18BrFN2
Molecular Weight481.37 g/mol
Exact Mass480.06
IUPAC Name4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine
SMILESFc1ccc(-c2nc(-c3ccc(Br)cc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C28H18BrFN2/c29-24-13-9-20(10-14-24)26-18-27(32-28(31-26)21-11-15-25(30)16-12-21)23-8-4-7-22(17-23)19-5-2-1-3-6-19/h1-18H
InChIKeyZAIPAUSYAQOIAI-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)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine (CID 146484435) is 4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine is Fc1ccc(-c2nc(-c3ccc(Br)cc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine?
The InChIKey is ZAIPAUSYAQOIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrFN2/c29-24-13-9-20(10-14-24)26-18-27(32-28(31-26)21-11-15-25(30)16-12-21)23-8-4-7-22(17-23)19-5-2-1-3-6-19/h1-18H.
What are the key properties of 4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine?
4-(4-bromophenyl)-2-(4-fluorophenyl)-6-(3-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)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 146484435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).