2-(7-pyridin-2-ylpyren-2-yl)pyridine

C26H16N2 — CID 59501678

IUPAC2-(7-pyridin-2-ylpyren-2-yl)pyridine
SMILESc1ccc(-c2cc3ccc4cc(-c5ccccn5)cc5ccc(c2)c3c45)nc1
InChIInChI=1S/C26H16N2/c1-3-11-27-23(5-1)21-13-17-7-9-19-15-22(24-6-2-4-12-28-24)16-20-10-8-18(14-21)25(17)26(19)20/h1-16H
InChIKeyNRSANCBJAHUTMN-UHFFFAOYSA-N
MW356.43 g/mol
LogP6.71
Rot. Bonds2

About 2-(7-pyridin-2-ylpyren-2-yl)pyridine

2-(7-pyridin-2-ylpyren-2-yl)pyridine (PubChem CID 59501678) has the molecular formula C26H16N2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(7-pyridin-2-ylpyren-2-yl)pyridine.

Molecular Properties

Compound Name2-(7-pyridin-2-ylpyren-2-yl)pyridine
PubChem CID59501678
Molecular FormulaC26H16N2
Molecular Weight356.43 g/mol
Exact Mass356.13
IUPAC Name2-(7-pyridin-2-ylpyren-2-yl)pyridine
SMILESc1ccc(-c2cc3ccc4cc(-c5ccccn5)cc5ccc(c2)c3c45)nc1
InChIInChI=1S/C26H16N2/c1-3-11-27-23(5-1)21-13-17-7-9-19-15-22(24-6-2-4-12-28-24)16-20-10-8-18(14-21)25(17)26(19)20/h1-16H
InChIKeyNRSANCBJAHUTMN-UHFFFAOYSA-N
XLogP6.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-pyridin-2-ylpyren-2-yl)pyridine?
The IUPAC name of 2-(7-pyridin-2-ylpyren-2-yl)pyridine (CID 59501678) is 2-(7-pyridin-2-ylpyren-2-yl)pyridine.
What is the SMILES notation for 2-(7-pyridin-2-ylpyren-2-yl)pyridine?
The canonical SMILES for 2-(7-pyridin-2-ylpyren-2-yl)pyridine is c1ccc(-c2cc3ccc4cc(-c5ccccn5)cc5ccc(c2)c3c45)nc1.
What is the InChIKey of 2-(7-pyridin-2-ylpyren-2-yl)pyridine?
The InChIKey is NRSANCBJAHUTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2/c1-3-11-27-23(5-1)21-13-17-7-9-19-15-22(24-6-2-4-12-28-24)16-20-10-8-18(14-21)25(17)26(19)20/h1-16H.
What are the key properties of 2-(7-pyridin-2-ylpyren-2-yl)pyridine?
2-(7-pyridin-2-ylpyren-2-yl)pyridine has a molecular weight of 356.43 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-pyridin-2-ylpyren-2-yl)pyridine is sourced from PubChem (CID 59501678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).