3-ethynyl-N-tris(3-ethynylanilino)silylaniline

C32H24N4Si — CID 141475139

IUPAC3-ethynyl-N-tris(3-ethynylanilino)silylaniline
SMILESC#Cc1cccc(N[Si](Nc2cccc(C#C)c2)(Nc2cccc(C#C)c2)Nc2cccc(C#C)c2)c1
InChIInChI=1S/C32H24N4Si/c1-5-25-13-9-17-29(21-25)33-37(34-30-18-10-14-26(6-2)22-30,35-31-19-11-15-27(7-3)23-31)36-32-20-12-16-28(8-4)24-32/h1-4,9-24,33-36H
InChIKeyDINKEJNPIOTYOE-UHFFFAOYSA-N
MW492.66 g/mol
LogP5.80
Rot. Bonds8

About 3-ethynyl-N-tris(3-ethynylanilino)silylaniline

3-ethynyl-N-tris(3-ethynylanilino)silylaniline (PubChem CID 141475139) has the molecular formula C32H24N4Si and a molecular weight of 492.66 g/mol. Its IUPAC name is 3-ethynyl-N-tris(3-ethynylanilino)silylaniline.

Molecular Properties

Compound Name3-ethynyl-N-tris(3-ethynylanilino)silylaniline
PubChem CID141475139
Molecular FormulaC32H24N4Si
Molecular Weight492.66 g/mol
Exact Mass492.18
IUPAC Name3-ethynyl-N-tris(3-ethynylanilino)silylaniline
SMILESC#Cc1cccc(N[Si](Nc2cccc(C#C)c2)(Nc2cccc(C#C)c2)Nc2cccc(C#C)c2)c1
InChIInChI=1S/C32H24N4Si/c1-5-25-13-9-17-29(21-25)33-37(34-30-18-10-14-26(6-2)22-30,35-31-19-11-15-27(7-3)23-31)36-32-20-12-16-28(8-4)24-32/h1-4,9-24,33-36H
InChIKeyDINKEJNPIOTYOE-UHFFFAOYSA-N
XLogP5.80
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 55.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-N-tris(3-ethynylanilino)silylaniline?
The IUPAC name of 3-ethynyl-N-tris(3-ethynylanilino)silylaniline (CID 141475139) is 3-ethynyl-N-tris(3-ethynylanilino)silylaniline.
What is the SMILES notation for 3-ethynyl-N-tris(3-ethynylanilino)silylaniline?
The canonical SMILES for 3-ethynyl-N-tris(3-ethynylanilino)silylaniline is C#Cc1cccc(N[Si](Nc2cccc(C#C)c2)(Nc2cccc(C#C)c2)Nc2cccc(C#C)c2)c1.
What is the InChIKey of 3-ethynyl-N-tris(3-ethynylanilino)silylaniline?
The InChIKey is DINKEJNPIOTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4Si/c1-5-25-13-9-17-29(21-25)33-37(34-30-18-10-14-26(6-2)22-30,35-31-19-11-15-27(7-3)23-31)36-32-20-12-16-28(8-4)24-32/h1-4,9-24,33-36H.
What are the key properties of 3-ethynyl-N-tris(3-ethynylanilino)silylaniline?
3-ethynyl-N-tris(3-ethynylanilino)silylaniline has a molecular weight of 492.66 g/mol, XLogP of 5.80, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-N-tris(3-ethynylanilino)silylaniline is sourced from PubChem (CID 141475139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).