1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one

C20H20N2O2Si — CID 162350217

IUPAC1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one
SMILESC[Si](C)(C)Oc1cc2c(=O)[nH]n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C20H20N2O2Si/c1-25(2,3)24-18-13-17-19(16-12-8-7-11-15(16)18)22(21-20(17)23)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,21,23)
InChIKeyKTFZGGVCKLMYCW-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.69
Rot. Bonds3

About 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one

1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one (PubChem CID 162350217) has the molecular formula C20H20N2O2Si and a molecular weight of 348.48 g/mol. Its IUPAC name is 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one.

Molecular Properties

Compound Name1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one
PubChem CID162350217
Molecular FormulaC20H20N2O2Si
Molecular Weight348.48 g/mol
Exact Mass348.13
IUPAC Name1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one
SMILESC[Si](C)(C)Oc1cc2c(=O)[nH]n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C20H20N2O2Si/c1-25(2,3)24-18-13-17-19(16-12-8-7-11-15(16)18)22(21-20(17)23)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,21,23)
InChIKeyKTFZGGVCKLMYCW-UHFFFAOYSA-N
XLogP4.69
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one?
The IUPAC name of 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one (CID 162350217) is 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one.
What is the SMILES notation for 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one?
The canonical SMILES for 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one is C[Si](C)(C)Oc1cc2c(=O)[nH]n(-c3ccccc3)c2c2ccccc12.
What is the InChIKey of 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one?
The InChIKey is KTFZGGVCKLMYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2Si/c1-25(2,3)24-18-13-17-19(16-12-8-7-11-15(16)18)22(21-20(17)23)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,21,23).
What are the key properties of 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one?
1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one has a molecular weight of 348.48 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-trimethylsilyloxy-2H-benzo[g]indazol-3-one is sourced from PubChem (CID 162350217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).