tin(2+);bis(2,4,6-tris(dimethylamino)phenolate)

C24H40N6O2Sn — CID 101238546

IUPACtin(2+);bis(2,4,6-tris(dimethylamino)phenolate)
SMILESCN(C)c1cc(N(C)C)c([O-])c(N(C)C)c1.CN(C)c1cc(N(C)C)c([O-])c(N(C)C)c1.[Sn+2]
InChIInChI=1S/2C12H21N3O.Sn/c2*1-13(2)9-7-10(14(3)4)12(16)11(8-9)15(5)6;/h2*7-8,16H,1-6H3;/q;;+2/p-2
InChIKeyPTWVTWCRERWUSU-UHFFFAOYSA-L
MW563.34 g/mol
LogP1.54
Rot. Bonds6

About tin(2+);bis(2,4,6-tris(dimethylamino)phenolate)

tin(2+);bis(2,4,6-tris(dimethylamino)phenolate) (PubChem CID 101238546) has the molecular formula C24H40N6O2Sn and a molecular weight of 563.34 g/mol. Its IUPAC name is tin(2+);bis(2,4,6-tris(dimethylamino)phenolate).

Molecular Properties

Compound Nametin(2+);bis(2,4,6-tris(dimethylamino)phenolate)
PubChem CID101238546
Molecular FormulaC24H40N6O2Sn
Molecular Weight563.34 g/mol
Exact Mass564.22
IUPAC Nametin(2+);bis(2,4,6-tris(dimethylamino)phenolate)
SMILESCN(C)c1cc(N(C)C)c([O-])c(N(C)C)c1.CN(C)c1cc(N(C)C)c([O-])c(N(C)C)c1.[Sn+2]
InChIInChI=1S/2C12H21N3O.Sn/c2*1-13(2)9-7-10(14(3)4)12(16)11(8-9)15(5)6;/h2*7-8,16H,1-6H3;/q;;+2/p-2
InChIKeyPTWVTWCRERWUSU-UHFFFAOYSA-L
XLogP1.54
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tin(2+);bis(2,4,6-tris(dimethylamino)phenolate)?
The IUPAC name of tin(2+);bis(2,4,6-tris(dimethylamino)phenolate) (CID 101238546) is tin(2+);bis(2,4,6-tris(dimethylamino)phenolate).
What is the SMILES notation for tin(2+);bis(2,4,6-tris(dimethylamino)phenolate)?
The canonical SMILES for tin(2+);bis(2,4,6-tris(dimethylamino)phenolate) is CN(C)c1cc(N(C)C)c([O-])c(N(C)C)c1.CN(C)c1cc(N(C)C)c([O-])c(N(C)C)c1.[Sn+2].
What is the InChIKey of tin(2+);bis(2,4,6-tris(dimethylamino)phenolate)?
The InChIKey is PTWVTWCRERWUSU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H21N3O.Sn/c2*1-13(2)9-7-10(14(3)4)12(16)11(8-9)15(5)6;/h2*7-8,16H,1-6H3;/q;;+2/p-2.
What are the key properties of tin(2+);bis(2,4,6-tris(dimethylamino)phenolate)?
tin(2+);bis(2,4,6-tris(dimethylamino)phenolate) has a molecular weight of 563.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tin(2+);bis(2,4,6-tris(dimethylamino)phenolate) is sourced from PubChem (CID 101238546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).