3-(4-fluorophenyl)-1-tritylindazol-5-amine

C32H24FN3 — CID 67420013

IUPAC3-(4-fluorophenyl)-1-tritylindazol-5-amine
SMILESNc1ccc2c(c1)c(-c1ccc(F)cc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H24FN3/c33-27-18-16-23(17-19-27)31-29-22-28(34)20-21-30(29)36(35-31)32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-22H,34H2
InChIKeyXOTSCGQEIZRHBB-UHFFFAOYSA-N
MW469.56 g/mol
LogP7.26
Rot. Bonds5

About 3-(4-fluorophenyl)-1-tritylindazol-5-amine

3-(4-fluorophenyl)-1-tritylindazol-5-amine (PubChem CID 67420013) has the molecular formula C32H24FN3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-tritylindazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-tritylindazol-5-amine
PubChem CID67420013
Molecular FormulaC32H24FN3
Molecular Weight469.56 g/mol
Exact Mass469.20
IUPAC Name3-(4-fluorophenyl)-1-tritylindazol-5-amine
SMILESNc1ccc2c(c1)c(-c1ccc(F)cc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H24FN3/c33-27-18-16-23(17-19-27)31-29-22-28(34)20-21-30(29)36(35-31)32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-22H,34H2
InChIKeyXOTSCGQEIZRHBB-UHFFFAOYSA-N
XLogP7.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-1-tritylindazol-5-amine 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-(4-fluorophenyl)-1-tritylindazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-1-tritylindazol-5-amine (CID 67420013) is 3-(4-fluorophenyl)-1-tritylindazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-tritylindazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-1-tritylindazol-5-amine is Nc1ccc2c(c1)c(-c1ccc(F)cc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-tritylindazol-5-amine?
The InChIKey is XOTSCGQEIZRHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN3/c33-27-18-16-23(17-19-27)31-29-22-28(34)20-21-30(29)36(35-31)32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-22H,34H2.
What are the key properties of 3-(4-fluorophenyl)-1-tritylindazol-5-amine?
3-(4-fluorophenyl)-1-tritylindazol-5-amine has a molecular weight of 469.56 g/mol, XLogP of 7.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-tritylindazol-5-amine is sourced from PubChem (CID 67420013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).