tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane

C28H44N2SSi2 — CID 102165434

IUPACtri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nsnc12)(C(C)C)C(C)C
InChIInChI=1S/C28H44N2SSi2/c1-19(2)32(20(3)4,21(5)6)17-15-25-13-14-26(28-27(25)29-31-30-28)16-18-33(22(7)8,23(9)10)24(11)12/h13-14,19-24H,1-12H3
InChIKeyRGWGLTZCRFXIDW-UHFFFAOYSA-N
MW496.91 g/mol
LogP8.83
Rot. Bonds6

About tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane

tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane (PubChem CID 102165434) has the molecular formula C28H44N2SSi2 and a molecular weight of 496.91 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane
PubChem CID102165434
Molecular FormulaC28H44N2SSi2
Molecular Weight496.91 g/mol
Exact Mass496.28
IUPAC Nametri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nsnc12)(C(C)C)C(C)C
InChIInChI=1S/C28H44N2SSi2/c1-19(2)32(20(3)4,21(5)6)17-15-25-13-14-26(28-27(25)29-31-30-28)16-18-33(22(7)8,23(9)10)24(11)12/h13-14,19-24H,1-12H3
InChIKeyRGWGLTZCRFXIDW-UHFFFAOYSA-N
XLogP8.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.91
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane (CID 102165434) is tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane is CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nsnc12)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane?
The InChIKey is RGWGLTZCRFXIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2SSi2/c1-19(2)32(20(3)4,21(5)6)17-15-25-13-14-26(28-27(25)29-31-30-28)16-18-33(22(7)8,23(9)10)24(11)12/h13-14,19-24H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane has a molecular weight of 496.91 g/mol, XLogP of 8.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane is sourced from PubChem (CID 102165434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).