trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane

C27H30N2OSi — CID 20580774

IUPACtrimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C27H30N2OSi/c1-31(2,3)19-18-30-21-29-27-17-15-24(23-12-8-5-9-13-23)20-25(27)26(28-29)16-14-22-10-6-4-7-11-22/h4-17,20H,18-19,21H2,1-3H3/b16-14+
InChIKeyMGGDZIIHNHXJNA-JQIJEIRASA-N
MW426.64 g/mol
LogP7.19
Rot. Bonds8

About trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (PubChem CID 20580774) has the molecular formula C27H30N2OSi and a molecular weight of 426.64 g/mol. Its IUPAC name is trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
PubChem CID20580774
Molecular FormulaC27H30N2OSi
Molecular Weight426.64 g/mol
Exact Mass426.21
IUPAC Nametrimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C27H30N2OSi/c1-31(2,3)19-18-30-21-29-27-17-15-24(23-12-8-5-9-13-23)20-25(27)26(28-29)16-14-22-10-6-4-7-11-22/h4-17,20H,18-19,21H2,1-3H3/b16-14+
InChIKeyMGGDZIIHNHXJNA-JQIJEIRASA-N
XLogP7.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 57.19
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (CID 20580774) is trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is MGGDZIIHNHXJNA-JQIJEIRASA-N. The full InChI is InChI=1S/C27H30N2OSi/c1-31(2,3)19-18-30-21-29-27-17-15-24(23-12-8-5-9-13-23)20-25(27)26(28-29)16-14-22-10-6-4-7-11-22/h4-17,20H,18-19,21H2,1-3H3/b16-14+.
What are the key properties of trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 426.64 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 20580774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).