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

C22H15BrN2 — CID 58943285

IUPAC4-(3-bromophenyl)-2,6-diphenylpyrimidine
SMILESBrc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H15BrN2/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/h1-15H
InChIKeyBPMSGKUGXMWVBH-UHFFFAOYSA-N
MW387.28 g/mol
LogP6.24
Rot. Bonds3

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

4-(3-bromophenyl)-2,6-diphenylpyrimidine (PubChem CID 58943285) has the molecular formula C22H15BrN2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2,6-diphenylpyrimidine
PubChem CID58943285
Molecular FormulaC22H15BrN2
Molecular Weight387.28 g/mol
Exact Mass386.04
IUPAC Name4-(3-bromophenyl)-2,6-diphenylpyrimidine
SMILESBrc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H15BrN2/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/h1-15H
InChIKeyBPMSGKUGXMWVBH-UHFFFAOYSA-N
XLogP6.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(3-bromophenyl)-2,6-diphenylpyrimidine (CID 58943285) is 4-(3-bromophenyl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(3-bromophenyl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(3-bromophenyl)-2,6-diphenylpyrimidine is Brc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2,6-diphenylpyrimidine?
The InChIKey is BPMSGKUGXMWVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2/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/h1-15H.
What are the key properties of 4-(3-bromophenyl)-2,6-diphenylpyrimidine?
4-(3-bromophenyl)-2,6-diphenylpyrimidine has a molecular weight of 387.28 g/mol, XLogP of 6.24, 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 is sourced from PubChem (CID 58943285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).