2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine

C38H25BrN4 — CID 118041850

IUPAC2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
SMILESBrc1ccc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)cn1
InChIInChI=1S/C38H25BrN4/c39-38-11-10-31(25-43-38)37-19-33(18-36(21-37)30-9-4-14-42-24-30)27-6-1-5-26(15-27)32-16-34(28-7-2-12-40-22-28)20-35(17-32)29-8-3-13-41-23-29/h1-25H
InChIKeyMCRCNIDFBJZUBS-UHFFFAOYSA-N
MW617.55 g/mol
LogP10.03
Rot. Bonds6

About 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine

2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine (PubChem CID 118041850) has the molecular formula C38H25BrN4 and a molecular weight of 617.55 g/mol. Its IUPAC name is 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
PubChem CID118041850
Molecular FormulaC38H25BrN4
Molecular Weight617.55 g/mol
Exact Mass616.13
IUPAC Name2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
SMILESBrc1ccc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)cn1
InChIInChI=1S/C38H25BrN4/c39-38-11-10-31(25-43-38)37-19-33(18-36(21-37)30-9-4-14-42-24-30)27-6-1-5-26(15-27)32-16-34(28-7-2-12-40-22-28)20-35(17-32)29-8-3-13-41-23-29/h1-25H
InChIKeyMCRCNIDFBJZUBS-UHFFFAOYSA-N
XLogP10.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.55
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine?
The IUPAC name of 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine (CID 118041850) is 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine.
What is the SMILES notation for 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine?
The canonical SMILES for 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine is Brc1ccc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)cn1.
What is the InChIKey of 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine?
The InChIKey is MCRCNIDFBJZUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25BrN4/c39-38-11-10-31(25-43-38)37-19-33(18-36(21-37)30-9-4-14-42-24-30)27-6-1-5-26(15-27)32-16-34(28-7-2-12-40-22-28)20-35(17-32)29-8-3-13-41-23-29/h1-25H.
What are the key properties of 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine?
2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine has a molecular weight of 617.55 g/mol, XLogP of 10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine is sourced from PubChem (CID 118041850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).