1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol

C24H18F3N3O — CID 15980902

IUPAC1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESOC(Cc1cc2ccccc2[nH]1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)23(31,14-19-13-16-6-4-5-9-21(16)29-19)18-10-11-22-17(12-18)15-28-30(22)20-7-2-1-3-8-20/h1-13,15,29,31H,14H2
InChIKeyWLTKNQMYWQQFLI-UHFFFAOYSA-N
MW421.42 g/mol
LogP5.50
Rot. Bonds4

About 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol

1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol (PubChem CID 15980902) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol
PubChem CID15980902
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC Name1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESOC(Cc1cc2ccccc2[nH]1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)23(31,14-19-13-16-6-4-5-9-21(16)29-19)18-10-11-22-17(12-18)15-28-30(22)20-7-2-1-3-8-20/h1-13,15,29,31H,14H2
InChIKeyWLTKNQMYWQQFLI-UHFFFAOYSA-N
XLogP5.50
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol (CID 15980902) is 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol is OC(Cc1cc2ccccc2[nH]1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol?
The InChIKey is WLTKNQMYWQQFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O/c25-24(26,27)23(31,14-19-13-16-6-4-5-9-21(16)29-19)18-10-11-22-17(12-18)15-28-30(22)20-7-2-1-3-8-20/h1-13,15,29,31H,14H2.
What are the key properties of 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol?
1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol has a molecular weight of 421.42 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol is sourced from PubChem (CID 15980902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).