4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine

C29H19N3 — CID 5249915

IUPAC4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3c4ccccc4cc4ccccc34)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C29H19N3/c1-3-11-23-20(9-1)17-21-10-2-4-12-24(21)29(23)22-18-27(25-13-5-7-15-30-25)32-28(19-22)26-14-6-8-16-31-26/h1-19H
InChIKeySBJMNAHBRGPXQA-UHFFFAOYSA-N
MW409.49 g/mol
LogP7.18
Rot. Bonds3

About 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine

4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine (PubChem CID 5249915) has the molecular formula C29H19N3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine
PubChem CID5249915
Molecular FormulaC29H19N3
Molecular Weight409.49 g/mol
Exact Mass409.16
IUPAC Name4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3c4ccccc4cc4ccccc34)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C29H19N3/c1-3-11-23-20(9-1)17-21-10-2-4-12-24(21)29(23)22-18-27(25-13-5-7-15-30-25)32-28(19-22)26-14-6-8-16-31-26/h1-19H
InChIKeySBJMNAHBRGPXQA-UHFFFAOYSA-N
XLogP7.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine (CID 5249915) is 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3c4ccccc4cc4ccccc34)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine?
The InChIKey is SBJMNAHBRGPXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3/c1-3-11-23-20(9-1)17-21-10-2-4-12-24(21)29(23)22-18-27(25-13-5-7-15-30-25)32-28(19-22)26-14-6-8-16-31-26/h1-19H.
What are the key properties of 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine?
4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine has a molecular weight of 409.49 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 5249915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).