2-(3-ethylphenyl)-3-phenylindazole

C21H18N2 — CID 169225849

IUPAC2-(3-ethylphenyl)-3-phenylindazole
SMILESCCc1cccc(-n2nc3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C21H18N2/c1-2-16-9-8-12-18(15-16)23-21(17-10-4-3-5-11-17)19-13-6-7-14-20(19)22-23/h3-15H,2H2,1H3
InChIKeyBYISEVJDLZZTES-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.25
Rot. Bonds3

About 2-(3-ethylphenyl)-3-phenylindazole

2-(3-ethylphenyl)-3-phenylindazole (PubChem CID 169225849) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-3-phenylindazole.

Molecular Properties

Compound Name2-(3-ethylphenyl)-3-phenylindazole
PubChem CID169225849
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-(3-ethylphenyl)-3-phenylindazole
SMILESCCc1cccc(-n2nc3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C21H18N2/c1-2-16-9-8-12-18(15-16)23-21(17-10-4-3-5-11-17)19-13-6-7-14-20(19)22-23/h3-15H,2H2,1H3
InChIKeyBYISEVJDLZZTES-UHFFFAOYSA-N
XLogP5.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethylphenyl)-3-phenylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-3-phenylindazole?
The IUPAC name of 2-(3-ethylphenyl)-3-phenylindazole (CID 169225849) is 2-(3-ethylphenyl)-3-phenylindazole.
What is the SMILES notation for 2-(3-ethylphenyl)-3-phenylindazole?
The canonical SMILES for 2-(3-ethylphenyl)-3-phenylindazole is CCc1cccc(-n2nc3ccccc3c2-c2ccccc2)c1.
What is the InChIKey of 2-(3-ethylphenyl)-3-phenylindazole?
The InChIKey is BYISEVJDLZZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-2-16-9-8-12-18(15-16)23-21(17-10-4-3-5-11-17)19-13-6-7-14-20(19)22-23/h3-15H,2H2,1H3.
What are the key properties of 2-(3-ethylphenyl)-3-phenylindazole?
2-(3-ethylphenyl)-3-phenylindazole has a molecular weight of 298.39 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-3-phenylindazole is sourced from PubChem (CID 169225849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).