tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane

C36H48N2OSn — CID 90407313

IUPACtributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H21N2O.3C4H9.Sn/c1-4-10-21(11-5-1)24(22-12-6-2-7-13-22,23-14-8-3-9-15-23)27-19-18-26-17-16-25-20-26;3*1-3-4-2;/h1-15,17,20H,18-19H2;3*1,3-4H2,2H3;
InChIKeyZPDSHZQQTGOVSO-UHFFFAOYSA-N
MW643.50 g/mol
LogP8.95
Rot. Bonds17

About tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane

tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane (PubChem CID 90407313) has the molecular formula C36H48N2OSn and a molecular weight of 643.50 g/mol. Its IUPAC name is tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane
PubChem CID90407313
Molecular FormulaC36H48N2OSn
Molecular Weight643.50 g/mol
Exact Mass644.28
IUPAC Nametributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H21N2O.3C4H9.Sn/c1-4-10-21(11-5-1)24(22-12-6-2-7-13-22,23-14-8-3-9-15-23)27-19-18-26-17-16-25-20-26;3*1-3-4-2;/h1-15,17,20H,18-19H2;3*1,3-4H2,2H3;
InChIKeyZPDSHZQQTGOVSO-UHFFFAOYSA-N
XLogP8.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.50
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane?
The IUPAC name of tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane (CID 90407313) is tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane.
What is the SMILES notation for tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane?
The canonical SMILES for tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cn(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane?
The InChIKey is ZPDSHZQQTGOVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2O.3C4H9.Sn/c1-4-10-21(11-5-1)24(22-12-6-2-7-13-22,23-14-8-3-9-15-23)27-19-18-26-17-16-25-20-26;3*1-3-4-2;/h1-15,17,20H,18-19H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane?
tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane has a molecular weight of 643.50 g/mol, XLogP of 8.95, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane is sourced from PubChem (CID 90407313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).