acridine

C26H18N2 — CID 21226281

IUPACacridine
SMILESc1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/2C13H9N/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h2*1-9H
InChIKeyGYUDLEOKVQWEHB-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.78
Rot. Bonds

About acridine

acridine (PubChem CID 21226281) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is acridine.

Molecular Properties

Compound Nameacridine
PubChem CID21226281
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Nameacridine
SMILESc1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/2C13H9N/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h2*1-9H
InChIKeyGYUDLEOKVQWEHB-UHFFFAOYSA-N
XLogP6.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acridine;methane
CID 21324126
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;dihydrate
CID 172843020
acridine;argon
CID 157415582
acridine;ethane
CID 123684759
benzo[b]acridine
CID 6451416
acridine;acridine-3,6-diamine
CID 21276006
acridine;heptane
CID 158562494
CID 88620951
CID 88620951
2H-pyrrolo[3,4-b]quinoline;hydrochloride
CID 69479066
N,N-dimethylacridin-3-amine
CID 15294363

Frequently Asked Questions

What is the IUPAC name of acridine?
The IUPAC name of acridine (CID 21226281) is acridine.
What is the SMILES notation for acridine?
The canonical SMILES for acridine is c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine?
The InChIKey is GYUDLEOKVQWEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9N/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h2*1-9H.
What are the key properties of acridine?
acridine has a molecular weight of 358.44 g/mol, XLogP of 6.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridine is sourced from PubChem (CID 21226281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).