6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole

C25H17FN2O — CID 11451823

IUPAC6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole
SMILESFc1ccccc1Oc1ccc2c(-c3ccc(-c4ccccc4)cc3)n[nH]c2c1
InChIInChI=1S/C25H17FN2O/c26-22-8-4-5-9-24(22)29-20-14-15-21-23(16-20)27-28-25(21)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H,(H,27,28)
InChIKeyJKXCYSWKGBQFNX-UHFFFAOYSA-N
MW380.42 g/mol
LogP6.83
Rot. Bonds4

About 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole

6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole (PubChem CID 11451823) has the molecular formula C25H17FN2O and a molecular weight of 380.42 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole
PubChem CID11451823
Molecular FormulaC25H17FN2O
Molecular Weight380.42 g/mol
Exact Mass380.13
IUPAC Name6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole
SMILESFc1ccccc1Oc1ccc2c(-c3ccc(-c4ccccc4)cc3)n[nH]c2c1
InChIInChI=1S/C25H17FN2O/c26-22-8-4-5-9-24(22)29-20-14-15-21-23(16-20)27-28-25(21)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H,(H,27,28)
InChIKeyJKXCYSWKGBQFNX-UHFFFAOYSA-N
XLogP6.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole?
The IUPAC name of 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole (CID 11451823) is 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole.
What is the SMILES notation for 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole?
The canonical SMILES for 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole is Fc1ccccc1Oc1ccc2c(-c3ccc(-c4ccccc4)cc3)n[nH]c2c1.
What is the InChIKey of 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole?
The InChIKey is JKXCYSWKGBQFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O/c26-22-8-4-5-9-24(22)29-20-14-15-21-23(16-20)27-28-25(21)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H,(H,27,28).
What are the key properties of 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole?
6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole has a molecular weight of 380.42 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-3-(4-phenylphenyl)-1H-indazole is sourced from PubChem (CID 11451823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).