3-(9H-carbazol-1-yl)aniline

C18H14N2 — CID 67501137

IUPAC3-(9H-carbazol-1-yl)aniline
SMILESNc1cccc(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C18H14N2/c19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16/h1-11,20H,19H2
InChIKeyYERHATFQPIMQTA-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.57
Rot. Bonds1

About 3-(9H-carbazol-1-yl)aniline

3-(9H-carbazol-1-yl)aniline (PubChem CID 67501137) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(9H-carbazol-1-yl)aniline.

Molecular Properties

Compound Name3-(9H-carbazol-1-yl)aniline
PubChem CID67501137
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name3-(9H-carbazol-1-yl)aniline
SMILESNc1cccc(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C18H14N2/c19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16/h1-11,20H,19H2
InChIKeyYERHATFQPIMQTA-UHFFFAOYSA-N
XLogP4.57
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(9H-carbazol-1-yl)aniline 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-(9H-carbazol-1-yl)aniline?
The IUPAC name of 3-(9H-carbazol-1-yl)aniline (CID 67501137) is 3-(9H-carbazol-1-yl)aniline.
What is the SMILES notation for 3-(9H-carbazol-1-yl)aniline?
The canonical SMILES for 3-(9H-carbazol-1-yl)aniline is Nc1cccc(-c2cccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 3-(9H-carbazol-1-yl)aniline?
The InChIKey is YERHATFQPIMQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16/h1-11,20H,19H2.
What are the key properties of 3-(9H-carbazol-1-yl)aniline?
3-(9H-carbazol-1-yl)aniline has a molecular weight of 258.32 g/mol, XLogP of 4.57, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-1-yl)aniline is sourced from PubChem (CID 67501137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).