1-azidophenanthrene

C14H9N3 — CID 14121608

IUPAC1-azidophenanthrene
SMILES[N-]=[N+]=Nc1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H9N3/c15-17-16-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H
InChIKeyZFWYIFQDPLJOBV-UHFFFAOYSA-N
MW219.25 g/mol
LogP4.93
Rot. Bonds1

About 1-azidophenanthrene

1-azidophenanthrene (PubChem CID 14121608) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-azidophenanthrene.

Molecular Properties

Compound Name1-azidophenanthrene
PubChem CID14121608
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name1-azidophenanthrene
SMILES[N-]=[N+]=Nc1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H9N3/c15-17-16-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H
InChIKeyZFWYIFQDPLJOBV-UHFFFAOYSA-N
XLogP4.93
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azidophenanthrene?
The IUPAC name of 1-azidophenanthrene (CID 14121608) is 1-azidophenanthrene.
What is the SMILES notation for 1-azidophenanthrene?
The canonical SMILES for 1-azidophenanthrene is [N-]=[N+]=Nc1cccc2c1ccc1ccccc12.
What is the InChIKey of 1-azidophenanthrene?
The InChIKey is ZFWYIFQDPLJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-17-16-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H.
What are the key properties of 1-azidophenanthrene?
1-azidophenanthrene has a molecular weight of 219.25 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidophenanthrene is sourced from PubChem (CID 14121608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).