6-iodo-5H-benzo[b]carbazole

C16H10IN — CID 166694598

IUPAC6-iodo-5H-benzo[b]carbazole
SMILESIc1c2ccccc2cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H10IN/c17-15-11-6-2-1-5-10(11)9-13-12-7-3-4-8-14(12)18-16(13)15/h1-9,18H
InChIKeyKWENISLQISYNIT-UHFFFAOYSA-N
MW343.17 g/mol
LogP5.08
Rot. Bonds

About 6-iodo-5H-benzo[b]carbazole

6-iodo-5H-benzo[b]carbazole (PubChem CID 166694598) has the molecular formula C16H10IN and a molecular weight of 343.17 g/mol. Its IUPAC name is 6-iodo-5H-benzo[b]carbazole.

Molecular Properties

Compound Name6-iodo-5H-benzo[b]carbazole
PubChem CID166694598
Molecular FormulaC16H10IN
Molecular Weight343.17 g/mol
Exact Mass342.99
IUPAC Name6-iodo-5H-benzo[b]carbazole
SMILESIc1c2ccccc2cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H10IN/c17-15-11-6-2-1-5-10(11)9-13-12-7-3-4-8-14(12)18-16(13)15/h1-9,18H
InChIKeyKWENISLQISYNIT-UHFFFAOYSA-N
XLogP5.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.17
LogP ≤ 55.08
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-5H-benzo[b]carbazole?
The IUPAC name of 6-iodo-5H-benzo[b]carbazole (CID 166694598) is 6-iodo-5H-benzo[b]carbazole.
What is the SMILES notation for 6-iodo-5H-benzo[b]carbazole?
The canonical SMILES for 6-iodo-5H-benzo[b]carbazole is Ic1c2ccccc2cc2c1[nH]c1ccccc12.
What is the InChIKey of 6-iodo-5H-benzo[b]carbazole?
The InChIKey is KWENISLQISYNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10IN/c17-15-11-6-2-1-5-10(11)9-13-12-7-3-4-8-14(12)18-16(13)15/h1-9,18H.
What are the key properties of 6-iodo-5H-benzo[b]carbazole?
6-iodo-5H-benzo[b]carbazole has a molecular weight of 343.17 g/mol, XLogP of 5.08, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5H-benzo[b]carbazole is sourced from PubChem (CID 166694598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).