triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane

C29H29NSi — CID 10621998

IUPACtriphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane
SMILESc1ccc(C(N2CCCC2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H29NSi/c1-5-15-25(16-6-1)29(30-23-13-14-24-30)31(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29H,13-14,23-24H2
InChIKeyNBCPWUKHIBHSMH-UHFFFAOYSA-N
MW419.64 g/mol
LogP4.53
Rot. Bonds6

About triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane

triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane (PubChem CID 10621998) has the molecular formula C29H29NSi and a molecular weight of 419.64 g/mol. Its IUPAC name is triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane.

Molecular Properties

Compound Nametriphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane
PubChem CID10621998
Molecular FormulaC29H29NSi
Molecular Weight419.64 g/mol
Exact Mass419.21
IUPAC Nametriphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane
SMILESc1ccc(C(N2CCCC2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H29NSi/c1-5-15-25(16-6-1)29(30-23-13-14-24-30)31(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29H,13-14,23-24H2
InChIKeyNBCPWUKHIBHSMH-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane?
The IUPAC name of triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane (CID 10621998) is triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane.
What is the SMILES notation for triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane?
The canonical SMILES for triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane is c1ccc(C(N2CCCC2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane?
The InChIKey is NBCPWUKHIBHSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NSi/c1-5-15-25(16-6-1)29(30-23-13-14-24-30)31(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29H,13-14,23-24H2.
What are the key properties of triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane?
triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane has a molecular weight of 419.64 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane is sourced from PubChem (CID 10621998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).