6-tribenzylstannyl-2,3-dihydroisoindol-1-one

C29H27NOSn — CID 57367188

IUPAC6-tribenzylstannyl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc([Sn](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)cc21
InChIInChI=1S/C8H6NO.3C7H7.Sn/c10-8-7-4-2-1-3-6(7)5-9-8;3*1-7-5-3-2-4-6-7;/h1,3-4H,5H2,(H,9,10);3*2-6H,1H2;
InChIKeyLUWOJIFSOKMMQE-UHFFFAOYSA-N
MW524.25 g/mol
LogP4.93
Rot. Bonds7

About 6-tribenzylstannyl-2,3-dihydroisoindol-1-one

6-tribenzylstannyl-2,3-dihydroisoindol-1-one (PubChem CID 57367188) has the molecular formula C29H27NOSn and a molecular weight of 524.25 g/mol. Its IUPAC name is 6-tribenzylstannyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-tribenzylstannyl-2,3-dihydroisoindol-1-one
PubChem CID57367188
Molecular FormulaC29H27NOSn
Molecular Weight524.25 g/mol
Exact Mass525.11
IUPAC Name6-tribenzylstannyl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc([Sn](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)cc21
InChIInChI=1S/C8H6NO.3C7H7.Sn/c10-8-7-4-2-1-3-6(7)5-9-8;3*1-7-5-3-2-4-6-7;/h1,3-4H,5H2,(H,9,10);3*2-6H,1H2;
InChIKeyLUWOJIFSOKMMQE-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.25
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tribenzylstannyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-tribenzylstannyl-2,3-dihydroisoindol-1-one (CID 57367188) is 6-tribenzylstannyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-tribenzylstannyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-tribenzylstannyl-2,3-dihydroisoindol-1-one is O=C1NCc2ccc([Sn](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)cc21.
What is the InChIKey of 6-tribenzylstannyl-2,3-dihydroisoindol-1-one?
The InChIKey is LUWOJIFSOKMMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NO.3C7H7.Sn/c10-8-7-4-2-1-3-6(7)5-9-8;3*1-7-5-3-2-4-6-7;/h1,3-4H,5H2,(H,9,10);3*2-6H,1H2;.
What are the key properties of 6-tribenzylstannyl-2,3-dihydroisoindol-1-one?
6-tribenzylstannyl-2,3-dihydroisoindol-1-one has a molecular weight of 524.25 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tribenzylstannyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 57367188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).