3,6-diiodo-9H-carbazole

C12H7I2N — CID 3116488

IUPAC3,6-diiodo-9H-carbazole
SMILESIc1ccc2[nH]c3ccc(I)cc3c2c1
InChIInChI=1S/C12H7I2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKeyPECAOKZHORDWAI-UHFFFAOYSA-N
MW419.00 g/mol
LogP4.53
Rot. Bonds

About 3,6-diiodo-9H-carbazole

3,6-diiodo-9H-carbazole (PubChem CID 3116488) has the molecular formula C12H7I2N and a molecular weight of 419.00 g/mol. Its IUPAC name is 3,6-diiodo-9H-carbazole.

Molecular Properties

Compound Name3,6-diiodo-9H-carbazole
PubChem CID3116488
Molecular FormulaC12H7I2N
Molecular Weight419.00 g/mol
Exact Mass418.87
IUPAC Name3,6-diiodo-9H-carbazole
SMILESIc1ccc2[nH]c3ccc(I)cc3c2c1
InChIInChI=1S/C12H7I2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKeyPECAOKZHORDWAI-UHFFFAOYSA-N
XLogP4.53
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.00
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,6-diiodo-9H-carbazole 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-diiodo-9H-carbazole?
The IUPAC name of 3,6-diiodo-9H-carbazole (CID 3116488) is 3,6-diiodo-9H-carbazole.
What is the SMILES notation for 3,6-diiodo-9H-carbazole?
The canonical SMILES for 3,6-diiodo-9H-carbazole is Ic1ccc2[nH]c3ccc(I)cc3c2c1.
What is the InChIKey of 3,6-diiodo-9H-carbazole?
The InChIKey is PECAOKZHORDWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7I2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H.
What are the key properties of 3,6-diiodo-9H-carbazole?
3,6-diiodo-9H-carbazole has a molecular weight of 419.00 g/mol, XLogP of 4.53, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diiodo-9H-carbazole is sourced from PubChem (CID 3116488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).