4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine

C40H24Br2N8 — CID 129291736

IUPAC4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine
SMILESBrc1cc(Br)cc(-c2cc(-c3cc(-c4cccnc4)nc(-c4ccccn4)n3)cc(-c3cc(-c4cccnc4)nc(-c4ccccn4)n3)c2)c1
InChIInChI=1S/C40H24Br2N8/c41-31-18-28(19-32(42)20-31)27-15-29(37-21-35(25-7-5-11-43-23-25)47-39(49-37)33-9-1-3-13-45-33)17-30(16-27)38-22-36(26-8-6-12-44-24-26)48-40(50-38)34-10-2-4-14-46-34/h1-24H
InChIKeyPPEYTZACZHXMLG-UHFFFAOYSA-N
MW776.50 g/mol
LogP10.04
Rot. Bonds7

About 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine

4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine (PubChem CID 129291736) has the molecular formula C40H24Br2N8 and a molecular weight of 776.50 g/mol. Its IUPAC name is 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine
PubChem CID129291736
Molecular FormulaC40H24Br2N8
Molecular Weight776.50 g/mol
Exact Mass774.05
IUPAC Name4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine
SMILESBrc1cc(Br)cc(-c2cc(-c3cc(-c4cccnc4)nc(-c4ccccn4)n3)cc(-c3cc(-c4cccnc4)nc(-c4ccccn4)n3)c2)c1
InChIInChI=1S/C40H24Br2N8/c41-31-18-28(19-32(42)20-31)27-15-29(37-21-35(25-7-5-11-43-23-25)47-39(49-37)33-9-1-3-13-45-33)17-30(16-27)38-22-36(26-8-6-12-44-24-26)48-40(50-38)34-10-2-4-14-46-34/h1-24H
InChIKeyPPEYTZACZHXMLG-UHFFFAOYSA-N
XLogP10.04
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.50
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine (CID 129291736) is 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine is Brc1cc(Br)cc(-c2cc(-c3cc(-c4cccnc4)nc(-c4ccccn4)n3)cc(-c3cc(-c4cccnc4)nc(-c4ccccn4)n3)c2)c1.
What is the InChIKey of 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine?
The InChIKey is PPEYTZACZHXMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24Br2N8/c41-31-18-28(19-32(42)20-31)27-15-29(37-21-35(25-7-5-11-43-23-25)47-39(49-37)33-9-1-3-13-45-33)17-30(16-27)38-22-36(26-8-6-12-44-24-26)48-40(50-38)34-10-2-4-14-46-34/h1-24H.
What are the key properties of 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine?
4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine has a molecular weight of 776.50 g/mol, XLogP of 10.04, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dibromophenyl)-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 129291736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).