4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine

C22H14Br2N2 — CID 23139721

IUPAC4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine
SMILESBrc1cc(Br)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H14Br2N2/c23-18-11-17(12-19(24)13-18)21-14-20(15-7-3-1-4-8-15)25-22(26-21)16-9-5-2-6-10-16/h1-14H
InChIKeyDLXBSWIBLRUGFU-UHFFFAOYSA-N
MW466.18 g/mol
LogP7.00
Rot. Bonds3

About 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine

4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine (PubChem CID 23139721) has the molecular formula C22H14Br2N2 and a molecular weight of 466.18 g/mol. Its IUPAC name is 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine
PubChem CID23139721
Molecular FormulaC22H14Br2N2
Molecular Weight466.18 g/mol
Exact Mass463.95
IUPAC Name4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine
SMILESBrc1cc(Br)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H14Br2N2/c23-18-11-17(12-19(24)13-18)21-14-20(15-7-3-1-4-8-15)25-22(26-21)16-9-5-2-6-10-16/h1-14H
InChIKeyDLXBSWIBLRUGFU-UHFFFAOYSA-N
XLogP7.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.18
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine (CID 23139721) is 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine is Brc1cc(Br)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine?
The InChIKey is DLXBSWIBLRUGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2N2/c23-18-11-17(12-19(24)13-18)21-14-20(15-7-3-1-4-8-15)25-22(26-21)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine?
4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine has a molecular weight of 466.18 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 23139721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).