tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane

C23H51N3Si2Ti — CID 173316997

IUPACtris(dimethylazanide);2,4-dimethylpenta-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)C=C(C)C.[Ti+4]
InChIInChI=1S/C10H22Si2.C7H11.3C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-6(2)5-7(3)4;3*1-3-2;/h7-10H,1-6H3;1,5H,2-4H3;3*1-2H3;/q;4*-1;+4
InChIKeyBPUGGKWWRWYHMG-UHFFFAOYSA-N
MW473.72 g/mol
LogP8.04
Rot. Bonds4

About tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane

tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (PubChem CID 173316997) has the molecular formula C23H51N3Si2Ti and a molecular weight of 473.72 g/mol. Its IUPAC name is tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.

Molecular Properties

Compound Nametris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
PubChem CID173316997
Molecular FormulaC23H51N3Si2Ti
Molecular Weight473.72 g/mol
Exact Mass473.31
IUPAC Nametris(dimethylazanide);2,4-dimethylpenta-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)C=C(C)C.[Ti+4]
InChIInChI=1S/C10H22Si2.C7H11.3C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-6(2)5-7(3)4;3*1-3-2;/h7-10H,1-6H3;1,5H,2-4H3;3*1-2H3;/q;4*-1;+4
InChIKeyBPUGGKWWRWYHMG-UHFFFAOYSA-N
XLogP8.04
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.72
LogP ≤ 58.04
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'}

Analyze tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane 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 tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The IUPAC name of tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (CID 173316997) is tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.
What is the SMILES notation for tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The canonical SMILES for tris(dimethylazanide);2,4-dimethylpenta-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)C=C(C)C.[Ti+4].
What is the InChIKey of tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The InChIKey is BPUGGKWWRWYHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Si2.C7H11.3C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-6(2)5-7(3)4;3*1-3-2;/h7-10H,1-6H3;1,5H,2-4H3;3*1-2H3;/q;4*-1;+4.
What are the key properties of tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane has a molecular weight of 473.72 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);2,4-dimethylpenta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane is sourced from PubChem (CID 173316997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).