3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine

C32H24FN3 — CID 69194295

IUPAC3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine
SMILESNc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H24FN3/c33-26-18-16-22(17-19-26)31-29-28(35-36-31)21-20-27(34)30(29)32(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H,34H2,(H,35,36)
InChIKeyWOELKVZSVSBOKT-UHFFFAOYSA-N
MW469.56 g/mol
LogP7.33
Rot. Bonds5

About 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine

3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine (PubChem CID 69194295) has the molecular formula C32H24FN3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine
PubChem CID69194295
Molecular FormulaC32H24FN3
Molecular Weight469.56 g/mol
Exact Mass469.20
IUPAC Name3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine
SMILESNc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H24FN3/c33-26-18-16-22(17-19-26)31-29-28(35-36-31)21-20-27(34)30(29)32(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H,34H2,(H,35,36)
InChIKeyWOELKVZSVSBOKT-UHFFFAOYSA-N
XLogP7.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine (CID 69194295) is 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine is Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine?
The InChIKey is WOELKVZSVSBOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN3/c33-26-18-16-22(17-19-26)31-29-28(35-36-31)21-20-27(34)30(29)32(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H,34H2,(H,35,36).
What are the key properties of 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine?
3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine has a molecular weight of 469.56 g/mol, XLogP of 7.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-trityl-1H-indazol-5-amine is sourced from PubChem (CID 69194295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).