acridine

C13H9N — CID 9215

IUPACacridine
SMILESc1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
InChIKeyDZBUGLKDJFMEHC-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.39
Rot. Bonds

About acridine

acridine (PubChem CID 9215) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is acridine.

Molecular Properties

Compound Nameacridine
PubChem CID9215
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Nameacridine
SMILESc1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
InChIKeyDZBUGLKDJFMEHC-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 acridine?
The IUPAC name of acridine (CID 9215) is acridine.
What is the SMILES notation for acridine?
The canonical SMILES for acridine is c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine?
The InChIKey is DZBUGLKDJFMEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H.
What are the key properties of acridine?
acridine has a molecular weight of 179.22 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acridine is sourced from PubChem (CID 9215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).