bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane

C26H26F3N3Si2 — CID 157156753

IUPACbis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane
SMILESC=CC[Si](C[Si](C)(Cn1cncn1)c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H26F3N3Si2/c1-3-16-34(25-12-6-22(28)7-13-25,26-14-8-23(29)9-15-26)20-33(2,19-32-18-30-17-31-32)24-10-4-21(27)5-11-24/h3-15,17-18H,1,16,19-20H2,2H3
InChIKeyALWYWNUQCPOORJ-UHFFFAOYSA-N
MW493.68 g/mol
LogP4.21
Rot. Bonds9

About bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane

bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane (PubChem CID 157156753) has the molecular formula C26H26F3N3Si2 and a molecular weight of 493.68 g/mol. Its IUPAC name is bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane.

Molecular Properties

Compound Namebis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane
PubChem CID157156753
Molecular FormulaC26H26F3N3Si2
Molecular Weight493.68 g/mol
Exact Mass493.16
IUPAC Namebis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane
SMILESC=CC[Si](C[Si](C)(Cn1cncn1)c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H26F3N3Si2/c1-3-16-34(25-12-6-22(28)7-13-25,26-14-8-23(29)9-15-26)20-33(2,19-32-18-30-17-31-32)24-10-4-21(27)5-11-24/h3-15,17-18H,1,16,19-20H2,2H3
InChIKeyALWYWNUQCPOORJ-UHFFFAOYSA-N
XLogP4.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane?
The IUPAC name of bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane (CID 157156753) is bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane.
What is the SMILES notation for bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane?
The canonical SMILES for bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane is C=CC[Si](C[Si](C)(Cn1cncn1)c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane?
The InChIKey is ALWYWNUQCPOORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3Si2/c1-3-16-34(25-12-6-22(28)7-13-25,26-14-8-23(29)9-15-26)20-33(2,19-32-18-30-17-31-32)24-10-4-21(27)5-11-24/h3-15,17-18H,1,16,19-20H2,2H3.
What are the key properties of bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane?
bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane has a molecular weight of 493.68 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane is sourced from PubChem (CID 157156753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).