2,2-diiodo-1,9-dihydrocarbazole

C12H9I2N — CID 174605244

IUPAC2,2-diiodo-1,9-dihydrocarbazole
SMILESIC1(I)C=Cc2c([nH]c3ccccc23)C1
InChIInChI=1S/C12H9I2N/c13-12(14)6-5-9-8-3-1-2-4-10(8)15-11(9)7-12/h1-6,15H,7H2
InChIKeyWXCKTANZYNEOOZ-UHFFFAOYSA-N
MW421.02 g/mol
LogP4.30
Rot. Bonds

About 2,2-diiodo-1,9-dihydrocarbazole

2,2-diiodo-1,9-dihydrocarbazole (PubChem CID 174605244) has the molecular formula C12H9I2N and a molecular weight of 421.02 g/mol. Its IUPAC name is 2,2-diiodo-1,9-dihydrocarbazole.

Molecular Properties

Compound Name2,2-diiodo-1,9-dihydrocarbazole
PubChem CID174605244
Molecular FormulaC12H9I2N
Molecular Weight421.02 g/mol
Exact Mass420.88
IUPAC Name2,2-diiodo-1,9-dihydrocarbazole
SMILESIC1(I)C=Cc2c([nH]c3ccccc23)C1
InChIInChI=1S/C12H9I2N/c13-12(14)6-5-9-8-3-1-2-4-10(8)15-11(9)7-12/h1-6,15H,7H2
InChIKeyWXCKTANZYNEOOZ-UHFFFAOYSA-N
XLogP4.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.02
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diiodo-1,9-dihydrocarbazole?
The IUPAC name of 2,2-diiodo-1,9-dihydrocarbazole (CID 174605244) is 2,2-diiodo-1,9-dihydrocarbazole.
What is the SMILES notation for 2,2-diiodo-1,9-dihydrocarbazole?
The canonical SMILES for 2,2-diiodo-1,9-dihydrocarbazole is IC1(I)C=Cc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2,2-diiodo-1,9-dihydrocarbazole?
The InChIKey is WXCKTANZYNEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9I2N/c13-12(14)6-5-9-8-3-1-2-4-10(8)15-11(9)7-12/h1-6,15H,7H2.
What are the key properties of 2,2-diiodo-1,9-dihydrocarbazole?
2,2-diiodo-1,9-dihydrocarbazole has a molecular weight of 421.02 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diiodo-1,9-dihydrocarbazole is sourced from PubChem (CID 174605244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).