3,6-diiodoacridine

C13H7I2N — CID 634773

IUPAC3,6-diiodoacridine
SMILESIc1ccc2cc3ccc(I)cc3nc2c1
InChIInChI=1S/C13H7I2N/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H
InChIKeyFVRZQWKXNDPTOJ-UHFFFAOYSA-N
MW431.01 g/mol
LogP4.60
Rot. Bonds

About 3,6-diiodoacridine

3,6-diiodoacridine (PubChem CID 634773) has the molecular formula C13H7I2N and a molecular weight of 431.01 g/mol. Its IUPAC name is 3,6-diiodoacridine.

Molecular Properties

Compound Name3,6-diiodoacridine
PubChem CID634773
Molecular FormulaC13H7I2N
Molecular Weight431.01 g/mol
Exact Mass430.87
IUPAC Name3,6-diiodoacridine
SMILESIc1ccc2cc3ccc(I)cc3nc2c1
InChIInChI=1S/C13H7I2N/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H
InChIKeyFVRZQWKXNDPTOJ-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.01
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,6-diiodoacridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-diiodoacridine?
The IUPAC name of 3,6-diiodoacridine (CID 634773) is 3,6-diiodoacridine.
What is the SMILES notation for 3,6-diiodoacridine?
The canonical SMILES for 3,6-diiodoacridine is Ic1ccc2cc3ccc(I)cc3nc2c1.
What is the InChIKey of 3,6-diiodoacridine?
The InChIKey is FVRZQWKXNDPTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7I2N/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H.
What are the key properties of 3,6-diiodoacridine?
3,6-diiodoacridine has a molecular weight of 431.01 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diiodoacridine is sourced from PubChem (CID 634773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).