9-ethyl-3,6-diiodocarbazole

C14H11I2N — CID 4167061

IUPAC9-ethyl-3,6-diiodocarbazole
SMILESCCn1c2ccc(I)cc2c2cc(I)ccc21
InChIInChI=1S/C14H11I2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3
InChIKeyKMCBWMCQDXPDMI-UHFFFAOYSA-N
MW447.06 g/mol
LogP5.02
Rot. Bonds1

About 9-ethyl-3,6-diiodocarbazole

9-ethyl-3,6-diiodocarbazole (PubChem CID 4167061) has the molecular formula C14H11I2N and a molecular weight of 447.06 g/mol. Its IUPAC name is 9-ethyl-3,6-diiodocarbazole.

Molecular Properties

Compound Name9-ethyl-3,6-diiodocarbazole
PubChem CID4167061
Molecular FormulaC14H11I2N
Molecular Weight447.06 g/mol
Exact Mass446.90
IUPAC Name9-ethyl-3,6-diiodocarbazole
SMILESCCn1c2ccc(I)cc2c2cc(I)ccc21
InChIInChI=1S/C14H11I2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3
InChIKeyKMCBWMCQDXPDMI-UHFFFAOYSA-N
XLogP5.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.06
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3,6-diiodocarbazole?
The IUPAC name of 9-ethyl-3,6-diiodocarbazole (CID 4167061) is 9-ethyl-3,6-diiodocarbazole.
What is the SMILES notation for 9-ethyl-3,6-diiodocarbazole?
The canonical SMILES for 9-ethyl-3,6-diiodocarbazole is CCn1c2ccc(I)cc2c2cc(I)ccc21.
What is the InChIKey of 9-ethyl-3,6-diiodocarbazole?
The InChIKey is KMCBWMCQDXPDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11I2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3.
What are the key properties of 9-ethyl-3,6-diiodocarbazole?
9-ethyl-3,6-diiodocarbazole has a molecular weight of 447.06 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3,6-diiodocarbazole is sourced from PubChem (CID 4167061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).