4-triphenylstannylaniline

C24H21NSn — CID 3455691

IUPAC4-triphenylstannylaniline
SMILESNc1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C6H6N.3C6H5.Sn/c7-6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h2-5H,7H2;3*1-5H;
InChIKeyABVNDIYOGMYXDN-UHFFFAOYSA-N
MW442.15 g/mol
LogP2.65
Rot. Bonds4

About 4-triphenylstannylaniline

4-triphenylstannylaniline (PubChem CID 3455691) has the molecular formula C24H21NSn and a molecular weight of 442.15 g/mol. Its IUPAC name is 4-triphenylstannylaniline.

Molecular Properties

Compound Name4-triphenylstannylaniline
PubChem CID3455691
Molecular FormulaC24H21NSn
Molecular Weight442.15 g/mol
Exact Mass443.07
IUPAC Name4-triphenylstannylaniline
SMILESNc1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C6H6N.3C6H5.Sn/c7-6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h2-5H,7H2;3*1-5H;
InChIKeyABVNDIYOGMYXDN-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-triphenylstannylaniline?
The IUPAC name of 4-triphenylstannylaniline (CID 3455691) is 4-triphenylstannylaniline.
What is the SMILES notation for 4-triphenylstannylaniline?
The canonical SMILES for 4-triphenylstannylaniline is Nc1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-triphenylstannylaniline?
The InChIKey is ABVNDIYOGMYXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.3C6H5.Sn/c7-6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h2-5H,7H2;3*1-5H;.
What are the key properties of 4-triphenylstannylaniline?
4-triphenylstannylaniline has a molecular weight of 442.15 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triphenylstannylaniline is sourced from PubChem (CID 3455691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).