3-isocyano-9H-carbazole

C13H8N2 — CID 162480729

IUPAC3-isocyano-9H-carbazole
SMILES[C-]#[N+]c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H8N2/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H
InChIKeyVOKPIWXZIDELKU-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.87
Rot. Bonds

About 3-isocyano-9H-carbazole

3-isocyano-9H-carbazole (PubChem CID 162480729) has the molecular formula C13H8N2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-isocyano-9H-carbazole.

Molecular Properties

Compound Name3-isocyano-9H-carbazole
PubChem CID162480729
Molecular FormulaC13H8N2
Molecular Weight192.22 g/mol
Exact Mass192.07
IUPAC Name3-isocyano-9H-carbazole
SMILES[C-]#[N+]c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H8N2/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H
InChIKeyVOKPIWXZIDELKU-UHFFFAOYSA-N
XLogP3.87
TPSA20.15 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-isocyano-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-9H-carbazole?
The IUPAC name of 3-isocyano-9H-carbazole (CID 162480729) is 3-isocyano-9H-carbazole.
What is the SMILES notation for 3-isocyano-9H-carbazole?
The canonical SMILES for 3-isocyano-9H-carbazole is [C-]#[N+]c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-isocyano-9H-carbazole?
The InChIKey is VOKPIWXZIDELKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H.
What are the key properties of 3-isocyano-9H-carbazole?
3-isocyano-9H-carbazole has a molecular weight of 192.22 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-9H-carbazole is sourced from PubChem (CID 162480729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).