1H-indole;2,3,4,9-tetrahydro-1H-carbazole

C20H20N2 — CID 161045949

IUPAC1H-indole;2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc2[nH]ccc2c1.c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C12H13N.C8H7N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)5-6-9-8/h1,3,5,7,13H,2,4,6,8H2;1-6,9H
InChIKeyUBMSEMNMDZLRNQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.21
Rot. Bonds

About 1H-indole;2,3,4,9-tetrahydro-1H-carbazole

1H-indole;2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 161045949) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1H-indole;2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name1H-indole;2,3,4,9-tetrahydro-1H-carbazole
PubChem CID161045949
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1H-indole;2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc2[nH]ccc2c1.c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C12H13N.C8H7N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)5-6-9-8/h1,3,5,7,13H,2,4,6,8H2;1-6,9H
InChIKeyUBMSEMNMDZLRNQ-UHFFFAOYSA-N
XLogP5.21
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1H-indole;2,3,4,9-tetrahydro-1H-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 1H-indole;2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 1H-indole;2,3,4,9-tetrahydro-1H-carbazole (CID 161045949) is 1H-indole;2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 1H-indole;2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 1H-indole;2,3,4,9-tetrahydro-1H-carbazole is c1ccc2[nH]ccc2c1.c1ccc2c3c([nH]c2c1)CCCC3.
What is the InChIKey of 1H-indole;2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is UBMSEMNMDZLRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C8H7N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)5-6-9-8/h1,3,5,7,13H,2,4,6,8H2;1-6,9H.
What are the key properties of 1H-indole;2,3,4,9-tetrahydro-1H-carbazole?
1H-indole;2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 288.39 g/mol, XLogP of 5.21, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 161045949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).