trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane

C26H30N2OSi — CID 22352427

IUPACtrimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccccc1-c1ccc2c(c1)c(-c1ccccc1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H30N2OSi/c1-20-10-8-9-13-23(20)22-14-15-25-24(18-22)26(21-11-6-5-7-12-21)27-28(25)19-29-16-17-30(2,3)4/h5-15,18H,16-17,19H2,1-4H3
InChIKeyXPWNTBLPWJPKPZ-UHFFFAOYSA-N
MW414.63 g/mol
LogP6.99
Rot. Bonds7

About trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane (PubChem CID 22352427) has the molecular formula C26H30N2OSi and a molecular weight of 414.63 g/mol. Its IUPAC name is trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
PubChem CID22352427
Molecular FormulaC26H30N2OSi
Molecular Weight414.63 g/mol
Exact Mass414.21
IUPAC Nametrimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccccc1-c1ccc2c(c1)c(-c1ccccc1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H30N2OSi/c1-20-10-8-9-13-23(20)22-14-15-25-24(18-22)26(21-11-6-5-7-12-21)27-28(25)19-29-16-17-30(2,3)4/h5-15,18H,16-17,19H2,1-4H3
InChIKeyXPWNTBLPWJPKPZ-UHFFFAOYSA-N
XLogP6.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane 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 trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane (CID 22352427) is trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane is Cc1ccccc1-c1ccc2c(c1)c(-c1ccccc1)nn2COCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane?
The InChIKey is XPWNTBLPWJPKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2OSi/c1-20-10-8-9-13-23(20)22-14-15-25-24(18-22)26(21-11-6-5-7-12-21)27-28(25)19-29-16-17-30(2,3)4/h5-15,18H,16-17,19H2,1-4H3.
What are the key properties of trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane has a molecular weight of 414.63 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 22352427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).