dibenzyl-di(quinolin-8-yloxy)stannane

C32H26N2O2Sn — CID 16683147

IUPACdibenzyl-di(quinolin-8-yloxy)stannane
SMILESc1ccc(C[Sn](Cc2ccccc2)(Oc2cccc3cccnc23)Oc2cccc3cccnc23)cc1
InChIInChI=1S/2C9H7NO.2C7H7.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-7-5-3-2-4-6-7;/h2*1-6,11H;2*2-6H,1H2;/q;;;;+2/p-2
InChIKeyKYXKUZPOXYZNTD-UHFFFAOYSA-L
MW589.28 g/mol
LogP7.25
Rot. Bonds8

About dibenzyl-di(quinolin-8-yloxy)stannane

dibenzyl-di(quinolin-8-yloxy)stannane (PubChem CID 16683147) has the molecular formula C32H26N2O2Sn and a molecular weight of 589.28 g/mol. Its IUPAC name is dibenzyl-di(quinolin-8-yloxy)stannane.

Molecular Properties

Compound Namedibenzyl-di(quinolin-8-yloxy)stannane
PubChem CID16683147
Molecular FormulaC32H26N2O2Sn
Molecular Weight589.28 g/mol
Exact Mass590.10
IUPAC Namedibenzyl-di(quinolin-8-yloxy)stannane
SMILESc1ccc(C[Sn](Cc2ccccc2)(Oc2cccc3cccnc23)Oc2cccc3cccnc23)cc1
InChIInChI=1S/2C9H7NO.2C7H7.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-7-5-3-2-4-6-7;/h2*1-6,11H;2*2-6H,1H2;/q;;;;+2/p-2
InChIKeyKYXKUZPOXYZNTD-UHFFFAOYSA-L
XLogP7.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.28
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dibenzyl-di(quinolin-8-yloxy)stannane?
The IUPAC name of dibenzyl-di(quinolin-8-yloxy)stannane (CID 16683147) is dibenzyl-di(quinolin-8-yloxy)stannane.
What is the SMILES notation for dibenzyl-di(quinolin-8-yloxy)stannane?
The canonical SMILES for dibenzyl-di(quinolin-8-yloxy)stannane is c1ccc(C[Sn](Cc2ccccc2)(Oc2cccc3cccnc23)Oc2cccc3cccnc23)cc1.
What is the InChIKey of dibenzyl-di(quinolin-8-yloxy)stannane?
The InChIKey is KYXKUZPOXYZNTD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7NO.2C7H7.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-7-5-3-2-4-6-7;/h2*1-6,11H;2*2-6H,1H2;/q;;;;+2/p-2.
What are the key properties of dibenzyl-di(quinolin-8-yloxy)stannane?
dibenzyl-di(quinolin-8-yloxy)stannane has a molecular weight of 589.28 g/mol, XLogP of 7.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-di(quinolin-8-yloxy)stannane is sourced from PubChem (CID 16683147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).