2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine

C36H30N6 — CID 6446331

IUPAC2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine
SMILESC(=C/CCc1cccc(-c2cccc(-c3ccccn3)n2)n1)\CCc1cccc(-c2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C36H30N6/c1(3-13-27-15-9-19-33(39-27)35-23-11-21-31(41-35)29-17-5-7-25-37-29)2-4-14-28-16-10-20-34(40-28)36-24-12-22-32(42-36)30-18-6-8-26-38-30/h1-2,5-12,15-26H,3-4,13-14H2/b2-1+
InChIKeyWILXDFZVFYFEJI-OWOJBTEDSA-N
MW546.68 g/mol
LogP7.85
Rot. Bonds10

About 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine

2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine (PubChem CID 6446331) has the molecular formula C36H30N6 and a molecular weight of 546.68 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine
PubChem CID6446331
Molecular FormulaC36H30N6
Molecular Weight546.68 g/mol
Exact Mass546.25
IUPAC Name2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine
SMILESC(=C/CCc1cccc(-c2cccc(-c3ccccn3)n2)n1)\CCc1cccc(-c2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C36H30N6/c1(3-13-27-15-9-19-33(39-27)35-23-11-21-31(41-35)29-17-5-7-25-37-29)2-4-14-28-16-10-20-34(40-28)36-24-12-22-32(42-36)30-18-6-8-26-38-30/h1-2,5-12,15-26H,3-4,13-14H2/b2-1+
InChIKeyWILXDFZVFYFEJI-OWOJBTEDSA-N
XLogP7.85
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine (CID 6446331) is 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine is C(=C/CCc1cccc(-c2cccc(-c3ccccn3)n2)n1)\CCc1cccc(-c2cccc(-c3ccccn3)n2)n1.
What is the InChIKey of 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine?
The InChIKey is WILXDFZVFYFEJI-OWOJBTEDSA-N. The full InChI is InChI=1S/C36H30N6/c1(3-13-27-15-9-19-33(39-27)35-23-11-21-31(41-35)29-17-5-7-25-37-29)2-4-14-28-16-10-20-34(40-28)36-24-12-22-32(42-36)30-18-6-8-26-38-30/h1-2,5-12,15-26H,3-4,13-14H2/b2-1+.
What are the key properties of 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine?
2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine has a molecular weight of 546.68 g/mol, XLogP of 7.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 6446331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).