6-phenanthren-9-ylpyridin-3-amine

C19H14N2 — CID 118552272

IUPAC6-phenanthren-9-ylpyridin-3-amine
SMILESNc1ccc(-c2cc3ccccc3c3ccccc23)nc1
InChIInChI=1S/C19H14N2/c20-14-9-10-19(21-12-14)18-11-13-5-1-2-6-15(13)16-7-3-4-8-17(16)18/h1-12H,20H2
InChIKeyUSTDKVDGPJKHEE-UHFFFAOYSA-N
MW270.34 g/mol
LogP4.64
Rot. Bonds1

About 6-phenanthren-9-ylpyridin-3-amine

6-phenanthren-9-ylpyridin-3-amine (PubChem CID 118552272) has the molecular formula C19H14N2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-phenanthren-9-ylpyridin-3-amine.

Molecular Properties

Compound Name6-phenanthren-9-ylpyridin-3-amine
PubChem CID118552272
Molecular FormulaC19H14N2
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name6-phenanthren-9-ylpyridin-3-amine
SMILESNc1ccc(-c2cc3ccccc3c3ccccc23)nc1
InChIInChI=1S/C19H14N2/c20-14-9-10-19(21-12-14)18-11-13-5-1-2-6-15(13)16-7-3-4-8-17(16)18/h1-12H,20H2
InChIKeyUSTDKVDGPJKHEE-UHFFFAOYSA-N
XLogP4.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 54.64
H-Bond Donors ≤ 51
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 6-phenanthren-9-ylpyridin-3-amine?
The IUPAC name of 6-phenanthren-9-ylpyridin-3-amine (CID 118552272) is 6-phenanthren-9-ylpyridin-3-amine.
What is the SMILES notation for 6-phenanthren-9-ylpyridin-3-amine?
The canonical SMILES for 6-phenanthren-9-ylpyridin-3-amine is Nc1ccc(-c2cc3ccccc3c3ccccc23)nc1.
What is the InChIKey of 6-phenanthren-9-ylpyridin-3-amine?
The InChIKey is USTDKVDGPJKHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c20-14-9-10-19(21-12-14)18-11-13-5-1-2-6-15(13)16-7-3-4-8-17(16)18/h1-12H,20H2.
What are the key properties of 6-phenanthren-9-ylpyridin-3-amine?
6-phenanthren-9-ylpyridin-3-amine has a molecular weight of 270.34 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenanthren-9-ylpyridin-3-amine is sourced from PubChem (CID 118552272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).