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

C24H18F3N3O — CID 15980903

IUPAC1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESOC(Cn1ccc2ccccc21)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)23(31,16-29-13-12-17-6-4-5-9-21(17)29)19-10-11-22-18(14-19)15-28-30(22)20-7-2-1-3-8-20/h1-15,31H,16H2
InChIKeyHTCDAJICCATYKM-UHFFFAOYSA-N
MW421.42 g/mol
LogP5.43
Rot. Bonds4

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

1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol (PubChem CID 15980903) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol
PubChem CID15980903
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC Name1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESOC(Cn1ccc2ccccc21)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)23(31,16-29-13-12-17-6-4-5-9-21(17)29)19-10-11-22-18(14-19)15-28-30(22)20-7-2-1-3-8-20/h1-15,31H,16H2
InChIKeyHTCDAJICCATYKM-UHFFFAOYSA-N
XLogP5.43
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol (CID 15980903) is 1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol is OC(Cn1ccc2ccccc21)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol?
The InChIKey is HTCDAJICCATYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O/c25-24(26,27)23(31,16-29-13-12-17-6-4-5-9-21(17)29)19-10-11-22-18(14-19)15-28-30(22)20-7-2-1-3-8-20/h1-15,31H,16H2.
What are the key properties of 1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol?
1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol has a molecular weight of 421.42 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol is sourced from PubChem (CID 15980903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).