3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole

C26H23FN2O — CID 69420997

IUPAC3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole
SMILESFc1ccc(-c2nn(C3CCCCO3)c3ccc(C=Cc4ccccc4)cc23)cc1
InChIInChI=1S/C26H23FN2O/c27-22-14-12-21(13-15-22)26-23-18-20(10-9-19-6-2-1-3-7-19)11-16-24(23)29(28-26)25-8-4-5-17-30-25/h1-3,6-7,9-16,18,25H,4-5,8,17H2
InChIKeyOKDHMBGWIUSGJG-UHFFFAOYSA-N
MW398.48 g/mol
LogP6.71
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole

3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole (PubChem CID 69420997) has the molecular formula C26H23FN2O and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole
PubChem CID69420997
Molecular FormulaC26H23FN2O
Molecular Weight398.48 g/mol
Exact Mass398.18
IUPAC Name3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole
SMILESFc1ccc(-c2nn(C3CCCCO3)c3ccc(C=Cc4ccccc4)cc23)cc1
InChIInChI=1S/C26H23FN2O/c27-22-14-12-21(13-15-22)26-23-18-20(10-9-19-6-2-1-3-7-19)11-16-24(23)29(28-26)25-8-4-5-17-30-25/h1-3,6-7,9-16,18,25H,4-5,8,17H2
InChIKeyOKDHMBGWIUSGJG-UHFFFAOYSA-N
XLogP6.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole?
The IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole (CID 69420997) is 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole?
The canonical SMILES for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole is Fc1ccc(-c2nn(C3CCCCO3)c3ccc(C=Cc4ccccc4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole?
The InChIKey is OKDHMBGWIUSGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O/c27-22-14-12-21(13-15-22)26-23-18-20(10-9-19-6-2-1-3-7-19)11-16-24(23)29(28-26)25-8-4-5-17-30-25/h1-3,6-7,9-16,18,25H,4-5,8,17H2.
What are the key properties of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole?
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole has a molecular weight of 398.48 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethenyl)indazole is sourced from PubChem (CID 69420997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).