2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C29H32N2OSi — CID 20580663

IUPAC2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21
InChIInChI=1S/C29H32N2OSi/c1-33(2,3)21-20-32-23-31-29-19-17-26(15-14-24-10-6-4-7-11-24)22-27(29)28(30-31)18-16-25-12-8-5-9-13-25/h4-19,22H,20-21,23H2,1-3H3/b15-14+,18-16+
InChIKeyYWGHYCPUNKBIDG-IFABNPKTSA-N
MW452.67 g/mol
LogP7.69
Rot. Bonds9

About 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 20580663) has the molecular formula C29H32N2OSi and a molecular weight of 452.67 g/mol. Its IUPAC name is 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID20580663
Molecular FormulaC29H32N2OSi
Molecular Weight452.67 g/mol
Exact Mass452.23
IUPAC Name2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21
InChIInChI=1S/C29H32N2OSi/c1-33(2,3)21-20-32-23-31-29-19-17-26(15-14-24-10-6-4-7-11-24)22-27(29)28(30-31)18-16-25-12-8-5-9-13-25/h4-19,22H,20-21,23H2,1-3H3/b15-14+,18-16+
InChIKeyYWGHYCPUNKBIDG-IFABNPKTSA-N
XLogP7.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.67
LogP ≤ 57.69
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane 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-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 20580663) is 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21.
What is the InChIKey of 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YWGHYCPUNKBIDG-IFABNPKTSA-N. The full InChI is InChI=1S/C29H32N2OSi/c1-33(2,3)21-20-32-23-31-29-19-17-26(15-14-24-10-6-4-7-11-24)22-27(29)28(30-31)18-16-25-12-8-5-9-13-25/h4-19,22H,20-21,23H2,1-3H3/b15-14+,18-16+.
What are the key properties of 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 452.67 g/mol, XLogP of 7.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 20580663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).