trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide

C35H38INSi — CID 46225950

IUPACtrimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide
SMILESC[N+](C)(C)CCC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.[I-]
InChIInChI=1S/C35H38NSi.HI/c1-36(2,3)26-17-27-37(4)34(30-22-13-7-14-23-30)32(28-18-9-5-10-19-28)33(29-20-11-6-12-21-29)35(37)31-24-15-8-16-25-31;/h5-16,18-25H,17,26-27H2,1-4H3;1H/q+1;/p-1
InChIKeyPWYVVBKROXXHEB-UHFFFAOYSA-M
MW627.69 g/mol
LogP5.48
Rot. Bonds8

About trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide

trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide (PubChem CID 46225950) has the molecular formula C35H38INSi and a molecular weight of 627.69 g/mol. Its IUPAC name is trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide
PubChem CID46225950
Molecular FormulaC35H38INSi
Molecular Weight627.69 g/mol
Exact Mass627.18
IUPAC Nametrimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide
SMILESC[N+](C)(C)CCC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.[I-]
InChIInChI=1S/C35H38NSi.HI/c1-36(2,3)26-17-27-37(4)34(30-22-13-7-14-23-30)32(28-18-9-5-10-19-28)33(29-20-11-6-12-21-29)35(37)31-24-15-8-16-25-31;/h5-16,18-25H,17,26-27H2,1-4H3;1H/q+1;/p-1
InChIKeyPWYVVBKROXXHEB-UHFFFAOYSA-M
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.69
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide?
The IUPAC name of trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide (CID 46225950) is trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide.
What is the SMILES notation for trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide?
The canonical SMILES for trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide is C[N+](C)(C)CCC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.[I-].
What is the InChIKey of trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide?
The InChIKey is PWYVVBKROXXHEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H38NSi.HI/c1-36(2,3)26-17-27-37(4)34(30-22-13-7-14-23-30)32(28-18-9-5-10-19-28)33(29-20-11-6-12-21-29)35(37)31-24-15-8-16-25-31;/h5-16,18-25H,17,26-27H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide?
trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide has a molecular weight of 627.69 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide is sourced from PubChem (CID 46225950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).