tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane

C25H30N2Si — CID 11682496

IUPACtert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane
SMILESCN1c2ccccc2C([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C
InChIInChI=1S/C25H30N2Si/c1-25(2,3)28(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-22-18-12-13-19-23(22)26(4)27(24)5/h6-19,24H,1-5H3
InChIKeyIBONEGAOFVVGPJ-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.63
Rot. Bonds3

About tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane

tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane (PubChem CID 11682496) has the molecular formula C25H30N2Si and a molecular weight of 386.62 g/mol. Its IUPAC name is tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane
PubChem CID11682496
Molecular FormulaC25H30N2Si
Molecular Weight386.62 g/mol
Exact Mass386.22
IUPAC Nametert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane
SMILESCN1c2ccccc2C([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C
InChIInChI=1S/C25H30N2Si/c1-25(2,3)28(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-22-18-12-13-19-23(22)26(4)27(24)5/h6-19,24H,1-5H3
InChIKeyIBONEGAOFVVGPJ-UHFFFAOYSA-N
XLogP4.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane?
The IUPAC name of tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane (CID 11682496) is tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane.
What is the SMILES notation for tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane?
The canonical SMILES for tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane is CN1c2ccccc2C([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C.
What is the InChIKey of tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane?
The InChIKey is IBONEGAOFVVGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2Si/c1-25(2,3)28(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-22-18-12-13-19-23(22)26(4)27(24)5/h6-19,24H,1-5H3.
What are the key properties of tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane?
tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane has a molecular weight of 386.62 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane is sourced from PubChem (CID 11682496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).