acridine;iron

C13H9FeN — CID 158030240

IUPACacridine;iron
SMILES[Fe].c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.Fe/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;
InChIKeyFHCBJTWOMHWJTP-UHFFFAOYSA-N
MW235.07 g/mol
LogP3.39
Rot. Bonds

About acridine;iron

acridine;iron (PubChem CID 158030240) has the molecular formula C13H9FeN and a molecular weight of 235.07 g/mol. Its IUPAC name is acridine;iron.

Molecular Properties

Compound Nameacridine;iron
PubChem CID158030240
Molecular FormulaC13H9FeN
Molecular Weight235.07 g/mol
Exact Mass235.01
IUPAC Nameacridine;iron
SMILES[Fe].c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.Fe/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;
InChIKeyFHCBJTWOMHWJTP-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acridine
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acridine;ethane
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benzo[b]acridine
CID 6451416
acridine;acridine-3,6-diamine
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acridine;heptane
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CID 88620951
CID 88620951
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N,N-dimethylacridin-3-amine
CID 15294363

Frequently Asked Questions

What is the IUPAC name of acridine;iron?
The IUPAC name of acridine;iron (CID 158030240) is acridine;iron.
What is the SMILES notation for acridine;iron?
The canonical SMILES for acridine;iron is [Fe].c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;iron?
The InChIKey is FHCBJTWOMHWJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.Fe/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;iron?
acridine;iron has a molecular weight of 235.07 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;iron is sourced from PubChem (CID 158030240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).