2-tert-butyl-1,8-diiodo-9H-carbazole

C16H15I2N — CID 141437079

IUPAC2-tert-butyl-1,8-diiodo-9H-carbazole
SMILESCC(C)(C)c1ccc2c([nH]c3c(I)cccc32)c1I
InChIInChI=1S/C16H15I2N/c1-16(2,3)11-8-7-10-9-5-4-6-12(17)14(9)19-15(10)13(11)18/h4-8,19H,1-3H3
InChIKeyAEVXJPWRRGDSQN-UHFFFAOYSA-N
MW475.11 g/mol
LogP5.83
Rot. Bonds

About 2-tert-butyl-1,8-diiodo-9H-carbazole

2-tert-butyl-1,8-diiodo-9H-carbazole (PubChem CID 141437079) has the molecular formula C16H15I2N and a molecular weight of 475.11 g/mol. Its IUPAC name is 2-tert-butyl-1,8-diiodo-9H-carbazole.

Molecular Properties

Compound Name2-tert-butyl-1,8-diiodo-9H-carbazole
PubChem CID141437079
Molecular FormulaC16H15I2N
Molecular Weight475.11 g/mol
Exact Mass474.93
IUPAC Name2-tert-butyl-1,8-diiodo-9H-carbazole
SMILESCC(C)(C)c1ccc2c([nH]c3c(I)cccc32)c1I
InChIInChI=1S/C16H15I2N/c1-16(2,3)11-8-7-10-9-5-4-6-12(17)14(9)19-15(10)13(11)18/h4-8,19H,1-3H3
InChIKeyAEVXJPWRRGDSQN-UHFFFAOYSA-N
XLogP5.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.11
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,8-diiodo-9H-carbazole?
The IUPAC name of 2-tert-butyl-1,8-diiodo-9H-carbazole (CID 141437079) is 2-tert-butyl-1,8-diiodo-9H-carbazole.
What is the SMILES notation for 2-tert-butyl-1,8-diiodo-9H-carbazole?
The canonical SMILES for 2-tert-butyl-1,8-diiodo-9H-carbazole is CC(C)(C)c1ccc2c([nH]c3c(I)cccc32)c1I.
What is the InChIKey of 2-tert-butyl-1,8-diiodo-9H-carbazole?
The InChIKey is AEVXJPWRRGDSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15I2N/c1-16(2,3)11-8-7-10-9-5-4-6-12(17)14(9)19-15(10)13(11)18/h4-8,19H,1-3H3.
What are the key properties of 2-tert-butyl-1,8-diiodo-9H-carbazole?
2-tert-butyl-1,8-diiodo-9H-carbazole has a molecular weight of 475.11 g/mol, XLogP of 5.83, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,8-diiodo-9H-carbazole is sourced from PubChem (CID 141437079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).