tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane

C21H47N3Si2Ti — CID 173316749

IUPACtris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
SMILESC[N-]C.C[N-]C.C[N-]C.C[Si](C)(C)C=CC=C[Si](C)(C)C.[H]/[C-]=C\C=CC.[Ti+4]
InChIInChI=1S/C10H22Si2.C5H7.3C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-3-5-4-2;3*1-3-2;/h7-10H,1-6H3;1,3-5H,2H3;3*1-2H3;/q;4*-1;+4
InChIKeyATZCSUVNYYOEOI-UHFFFAOYSA-N
MW445.67 g/mol
LogP7.26
Rot. Bonds4

About tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane

tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (PubChem CID 173316749) has the molecular formula C21H47N3Si2Ti and a molecular weight of 445.67 g/mol. Its IUPAC name is tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.

Molecular Properties

Compound Nametris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
PubChem CID173316749
Molecular FormulaC21H47N3Si2Ti
Molecular Weight445.67 g/mol
Exact Mass445.28
IUPAC Nametris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
SMILESC[N-]C.C[N-]C.C[N-]C.C[Si](C)(C)C=CC=C[Si](C)(C)C.[H]/[C-]=C\C=CC.[Ti+4]
InChIInChI=1S/C10H22Si2.C5H7.3C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-3-5-4-2;3*1-3-2;/h7-10H,1-6H3;1,3-5H,2H3;3*1-2H3;/q;4*-1;+4
InChIKeyATZCSUVNYYOEOI-UHFFFAOYSA-N
XLogP7.26
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.67
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The IUPAC name of tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (CID 173316749) is tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.
What is the SMILES notation for tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The canonical SMILES for tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane is C[N-]C.C[N-]C.C[N-]C.C[Si](C)(C)C=CC=C[Si](C)(C)C.[H]/[C-]=C\C=CC.[Ti+4].
What is the InChIKey of tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The InChIKey is ATZCSUVNYYOEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Si2.C5H7.3C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-3-5-4-2;3*1-3-2;/h7-10H,1-6H3;1,3-5H,2H3;3*1-2H3;/q;4*-1;+4.
What are the key properties of tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane has a molecular weight of 445.67 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane is sourced from PubChem (CID 173316749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).