N,N-diethyl-2-triphenylstannylaniline

C28H29NSn — CID 159469705

IUPACN,N-diethyl-2-triphenylstannylaniline
SMILESCCN(CC)c1ccccc1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C10H14N.3C6H5.Sn/c1-3-11(4-2)10-8-6-5-7-9-10;3*1-2-4-6-5-3-1;/h5-8H,3-4H2,1-2H3;3*1-5H;
InChIKeyLVQLWDWAGCEZMT-UHFFFAOYSA-N
MW498.26 g/mol
LogP3.91
Rot. Bonds7

About N,N-diethyl-2-triphenylstannylaniline

N,N-diethyl-2-triphenylstannylaniline (PubChem CID 159469705) has the molecular formula C28H29NSn and a molecular weight of 498.26 g/mol. Its IUPAC name is N,N-diethyl-2-triphenylstannylaniline.

Molecular Properties

Compound NameN,N-diethyl-2-triphenylstannylaniline
PubChem CID159469705
Molecular FormulaC28H29NSn
Molecular Weight498.26 g/mol
Exact Mass499.13
IUPAC NameN,N-diethyl-2-triphenylstannylaniline
SMILESCCN(CC)c1ccccc1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C10H14N.3C6H5.Sn/c1-3-11(4-2)10-8-6-5-7-9-10;3*1-2-4-6-5-3-1;/h5-8H,3-4H2,1-2H3;3*1-5H;
InChIKeyLVQLWDWAGCEZMT-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-diethyl-2-triphenylstannylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-triphenylstannylaniline?
The IUPAC name of N,N-diethyl-2-triphenylstannylaniline (CID 159469705) is N,N-diethyl-2-triphenylstannylaniline.
What is the SMILES notation for N,N-diethyl-2-triphenylstannylaniline?
The canonical SMILES for N,N-diethyl-2-triphenylstannylaniline is CCN(CC)c1ccccc1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-triphenylstannylaniline?
The InChIKey is LVQLWDWAGCEZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.3C6H5.Sn/c1-3-11(4-2)10-8-6-5-7-9-10;3*1-2-4-6-5-3-1;/h5-8H,3-4H2,1-2H3;3*1-5H;.
What are the key properties of N,N-diethyl-2-triphenylstannylaniline?
N,N-diethyl-2-triphenylstannylaniline has a molecular weight of 498.26 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-triphenylstannylaniline is sourced from PubChem (CID 159469705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).