3-phenanthren-9-ylpyridine

C19H13N — CID 11687499

IUPAC3-phenanthren-9-ylpyridine
SMILESc1cncc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C19H13N/c1-2-8-16-14(6-1)12-19(15-7-5-11-20-13-15)18-10-4-3-9-17(16)18/h1-13H
InChIKeyPNVGXPZDAYDCKZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP5.05
Rot. Bonds1

About 3-phenanthren-9-ylpyridine

3-phenanthren-9-ylpyridine (PubChem CID 11687499) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-phenanthren-9-ylpyridine.

Molecular Properties

Compound Name3-phenanthren-9-ylpyridine
PubChem CID11687499
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name3-phenanthren-9-ylpyridine
SMILESc1cncc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C19H13N/c1-2-8-16-14(6-1)12-19(15-7-5-11-20-13-15)18-10-4-3-9-17(16)18/h1-13H
InChIKeyPNVGXPZDAYDCKZ-UHFFFAOYSA-N
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.32
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isoquinoline
CID 8405
4-Phenylpyridine
CID 13651
Benzo(F)Quinoline
CID 6796
Lauryl Isoquinolinium Bromide
CID 7132
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
3-Methylisoquinoline
CID 14306
3-Benzhydrylpyridine
CID 77251
Phenanthridine
CID 9189
Benzo(h)quinoline
CID 9191
4-Benzhydrylpyridine
CID 77252

Frequently Asked Questions

What is the IUPAC name of 3-phenanthren-9-ylpyridine?
The IUPAC name of 3-phenanthren-9-ylpyridine (CID 11687499) is 3-phenanthren-9-ylpyridine.
What is the SMILES notation for 3-phenanthren-9-ylpyridine?
The canonical SMILES for 3-phenanthren-9-ylpyridine is c1cncc(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 3-phenanthren-9-ylpyridine?
The InChIKey is PNVGXPZDAYDCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c1-2-8-16-14(6-1)12-19(15-7-5-11-20-13-15)18-10-4-3-9-17(16)18/h1-13H.
What are the key properties of 3-phenanthren-9-ylpyridine?
3-phenanthren-9-ylpyridine has a molecular weight of 255.32 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenanthren-9-ylpyridine is sourced from PubChem (CID 11687499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).