2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine

C36H22Br2N6 — CID 23726673

IUPAC2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine
SMILESBrc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5cccc(Br)n5)c4)cc3)cc(-c3ccccn3)n2)n1
InChIInChI=1S/C36H22Br2N6/c37-35-11-5-9-29(43-35)33-21-25(19-31(41-33)27-7-1-3-17-39-27)23-13-15-24(16-14-23)26-20-32(28-8-2-4-18-40-28)42-34(22-26)30-10-6-12-36(38)44-30/h1-22H
InChIKeyQBQIKDVVASINMP-UHFFFAOYSA-N
MW698.42 g/mol
LogP9.58
Rot. Bonds6

About 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine

2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine (PubChem CID 23726673) has the molecular formula C36H22Br2N6 and a molecular weight of 698.42 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine
PubChem CID23726673
Molecular FormulaC36H22Br2N6
Molecular Weight698.42 g/mol
Exact Mass696.03
IUPAC Name2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine
SMILESBrc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5cccc(Br)n5)c4)cc3)cc(-c3ccccn3)n2)n1
InChIInChI=1S/C36H22Br2N6/c37-35-11-5-9-29(43-35)33-21-25(19-31(41-33)27-7-1-3-17-39-27)23-13-15-24(16-14-23)26-20-32(28-8-2-4-18-40-28)42-34(22-26)30-10-6-12-36(38)44-30/h1-22H
InChIKeyQBQIKDVVASINMP-UHFFFAOYSA-N
XLogP9.58
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.42
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine (CID 23726673) is 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine is Brc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5cccc(Br)n5)c4)cc3)cc(-c3ccccn3)n2)n1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine?
The InChIKey is QBQIKDVVASINMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Br2N6/c37-35-11-5-9-29(43-35)33-21-25(19-31(41-33)27-7-1-3-17-39-27)23-13-15-24(16-14-23)26-20-32(28-8-2-4-18-40-28)42-34(22-26)30-10-6-12-36(38)44-30/h1-22H.
What are the key properties of 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine?
2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine has a molecular weight of 698.42 g/mol, XLogP of 9.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-4-[4-[2-(6-bromo-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 23726673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).