methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane

C22H21N3Si — CID 13474645

IUPACmethyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane
SMILESC[Si](Cn1cncn1)(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3Si/c1-26(18-25-17-23-16-24-25,21-10-6-3-7-11-21)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-17H,18H2,1H3
InChIKeyPTZXZTPYGVSPQQ-UHFFFAOYSA-N
MW355.52 g/mol
LogP3.38
Rot. Bonds5

About methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane

methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 13474645) has the molecular formula C22H21N3Si and a molecular weight of 355.52 g/mol. Its IUPAC name is methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Namemethyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID13474645
Molecular FormulaC22H21N3Si
Molecular Weight355.52 g/mol
Exact Mass355.15
IUPAC Namemethyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane
SMILESC[Si](Cn1cncn1)(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3Si/c1-26(18-25-17-23-16-24-25,21-10-6-3-7-11-21)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-17H,18H2,1H3
InChIKeyPTZXZTPYGVSPQQ-UHFFFAOYSA-N
XLogP3.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane (CID 13474645) is methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane is C[Si](Cn1cncn1)(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is PTZXZTPYGVSPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3Si/c1-26(18-25-17-23-16-24-25,21-10-6-3-7-11-21)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-17H,18H2,1H3.
What are the key properties of methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane?
methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 355.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 13474645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).