2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol

C27H19F3N2O — CID 11983289

IUPAC2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol
SMILESOC(c1cccc(-c2ccccc2)c1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C27H19F3N2O/c28-27(29,30)26(33,22-11-7-10-20(16-22)19-8-3-1-4-9-19)23-14-15-25-21(17-23)18-31-32(25)24-12-5-2-6-13-24/h1-18,33H
InChIKeyWDIYHIYLIMXTPJ-UHFFFAOYSA-N
MW444.46 g/mol
LogP6.49
Rot. Bonds4

About 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol

2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol (PubChem CID 11983289) has the molecular formula C27H19F3N2O and a molecular weight of 444.46 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol
PubChem CID11983289
Molecular FormulaC27H19F3N2O
Molecular Weight444.46 g/mol
Exact Mass444.14
IUPAC Name2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol
SMILESOC(c1cccc(-c2ccccc2)c1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C27H19F3N2O/c28-27(29,30)26(33,22-11-7-10-20(16-22)19-8-3-1-4-9-19)23-14-15-25-21(17-23)18-31-32(25)24-12-5-2-6-13-24/h1-18,33H
InChIKeyWDIYHIYLIMXTPJ-UHFFFAOYSA-N
XLogP6.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol (CID 11983289) is 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol is OC(c1cccc(-c2ccccc2)c1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol?
The InChIKey is WDIYHIYLIMXTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N2O/c28-27(29,30)26(33,22-11-7-10-20(16-22)19-8-3-1-4-9-19)23-14-15-25-21(17-23)18-31-32(25)24-12-5-2-6-13-24/h1-18,33H.
What are the key properties of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol?
2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol has a molecular weight of 444.46 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-(3-phenylphenyl)ethanol is sourced from PubChem (CID 11983289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).