tribenzyl(chloro)stannane

C21H21ClSn — CID 18470

IUPACtribenzyl(chloro)stannane
SMILESCl[Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/3C7H7.ClH.Sn/c3*1-7-5-3-2-4-6-7;;/h3*2-6H,1H2;1H;/q;;;;+1/p-1
InChIKeyPUFMEHZUXSPPAM-UHFFFAOYSA-M
MW427.56 g/mol
LogP5.52
Rot. Bonds6

About tribenzyl(chloro)stannane

tribenzyl(chloro)stannane (PubChem CID 18470) has the molecular formula C21H21ClSn and a molecular weight of 427.56 g/mol. Its IUPAC name is tribenzyl(chloro)stannane.

Molecular Properties

Compound Nametribenzyl(chloro)stannane
PubChem CID18470
Molecular FormulaC21H21ClSn
Molecular Weight427.56 g/mol
Exact Mass428.04
IUPAC Nametribenzyl(chloro)stannane
SMILESCl[Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/3C7H7.ClH.Sn/c3*1-7-5-3-2-4-6-7;;/h3*2-6H,1H2;1H;/q;;;;+1/p-1
InChIKeyPUFMEHZUXSPPAM-UHFFFAOYSA-M
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.56
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tribenzyl(chloro)stannane?
The IUPAC name of tribenzyl(chloro)stannane (CID 18470) is tribenzyl(chloro)stannane.
What is the SMILES notation for tribenzyl(chloro)stannane?
The canonical SMILES for tribenzyl(chloro)stannane is Cl[Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzyl(chloro)stannane?
The InChIKey is PUFMEHZUXSPPAM-UHFFFAOYSA-M. The full InChI is InChI=1S/3C7H7.ClH.Sn/c3*1-7-5-3-2-4-6-7;;/h3*2-6H,1H2;1H;/q;;;;+1/p-1.
What are the key properties of tribenzyl(chloro)stannane?
tribenzyl(chloro)stannane has a molecular weight of 427.56 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl(chloro)stannane is sourced from PubChem (CID 18470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).