6-iodo-2-propyl-9H-carbazole

C15H14IN — CID 139540418

IUPAC6-iodo-2-propyl-9H-carbazole
SMILESCCCc1ccc2c(c1)[nH]c1ccc(I)cc12
InChIInChI=1S/C15H14IN/c1-2-3-10-4-6-12-13-9-11(16)5-7-14(13)17-15(12)8-10/h4-9,17H,2-3H2,1H3
InChIKeyBFTDUVURQNWIIC-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.88
Rot. Bonds2

About 6-iodo-2-propyl-9H-carbazole

6-iodo-2-propyl-9H-carbazole (PubChem CID 139540418) has the molecular formula C15H14IN and a molecular weight of 335.19 g/mol. Its IUPAC name is 6-iodo-2-propyl-9H-carbazole.

Molecular Properties

Compound Name6-iodo-2-propyl-9H-carbazole
PubChem CID139540418
Molecular FormulaC15H14IN
Molecular Weight335.19 g/mol
Exact Mass335.02
IUPAC Name6-iodo-2-propyl-9H-carbazole
SMILESCCCc1ccc2c(c1)[nH]c1ccc(I)cc12
InChIInChI=1S/C15H14IN/c1-2-3-10-4-6-12-13-9-11(16)5-7-14(13)17-15(12)8-10/h4-9,17H,2-3H2,1H3
InChIKeyBFTDUVURQNWIIC-UHFFFAOYSA-N
XLogP4.88
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.88
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 6-iodo-2-propyl-9H-carbazole?
The IUPAC name of 6-iodo-2-propyl-9H-carbazole (CID 139540418) is 6-iodo-2-propyl-9H-carbazole.
What is the SMILES notation for 6-iodo-2-propyl-9H-carbazole?
The canonical SMILES for 6-iodo-2-propyl-9H-carbazole is CCCc1ccc2c(c1)[nH]c1ccc(I)cc12.
What is the InChIKey of 6-iodo-2-propyl-9H-carbazole?
The InChIKey is BFTDUVURQNWIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN/c1-2-3-10-4-6-12-13-9-11(16)5-7-14(13)17-15(12)8-10/h4-9,17H,2-3H2,1H3.
What are the key properties of 6-iodo-2-propyl-9H-carbazole?
6-iodo-2-propyl-9H-carbazole has a molecular weight of 335.19 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-propyl-9H-carbazole is sourced from PubChem (CID 139540418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).