[diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane

C30H31NSi — CID 177493486

IUPAC[diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C30H31NSi/c1-32(27-19-10-4-11-20-27,28-21-12-5-13-22-28)30(29-23-14-24-31-29,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h2-13,15-22,29,31H,14,23-24H2,1H3/t29-/m0/s1
InChIKeyZIWHXZZEOHPFNR-LJAQVGFWSA-N
MW433.67 g/mol
LogP5.16
Rot. Bonds6

About [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane

[diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane (PubChem CID 177493486) has the molecular formula C30H31NSi and a molecular weight of 433.67 g/mol. Its IUPAC name is [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane.

Molecular Properties

Compound Name[diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane
PubChem CID177493486
Molecular FormulaC30H31NSi
Molecular Weight433.67 g/mol
Exact Mass433.22
IUPAC Name[diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C30H31NSi/c1-32(27-19-10-4-11-20-27,28-21-12-5-13-22-28)30(29-23-14-24-31-29,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h2-13,15-22,29,31H,14,23-24H2,1H3/t29-/m0/s1
InChIKeyZIWHXZZEOHPFNR-LJAQVGFWSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.67
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane?
The IUPAC name of [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane (CID 177493486) is [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane.
What is the SMILES notation for [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane?
The canonical SMILES for [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane is C[Si](c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane?
The InChIKey is ZIWHXZZEOHPFNR-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H31NSi/c1-32(27-19-10-4-11-20-27,28-21-12-5-13-22-28)30(29-23-14-24-31-29,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h2-13,15-22,29,31H,14,23-24H2,1H3/t29-/m0/s1.
What are the key properties of [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane?
[diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane has a molecular weight of 433.67 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane is sourced from PubChem (CID 177493486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).