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

C21H45N3Si2Ti — CID 173316513

IUPACcyclopenta-1,3-diene;tris(dimethylazanide);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.[C-]1=CC=CC1.[Ti+4]
InChIInChI=1S/C10H22Si2.C5H5.3C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-2-4-5-3-1;3*1-3-2;/h7-10H,1-6H3;1-3H,4H2;3*1-2H3;/q;4*-1;+4
InChIKeyHMZABIZDNHMETQ-UHFFFAOYSA-N
MW443.65 g/mol
LogP7.02
Rot. Bonds3

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

cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (PubChem CID 173316513) has the molecular formula C21H45N3Si2Ti and a molecular weight of 443.65 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
PubChem CID173316513
Molecular FormulaC21H45N3Si2Ti
Molecular Weight443.65 g/mol
Exact Mass443.26
IUPAC Namecyclopenta-1,3-diene;tris(dimethylazanide);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.[C-]1=CC=CC1.[Ti+4]
InChIInChI=1S/C10H22Si2.C5H5.3C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-2-4-5-3-1;3*1-3-2;/h7-10H,1-6H3;1-3H,4H2;3*1-2H3;/q;4*-1;+4
InChIKeyHMZABIZDNHMETQ-UHFFFAOYSA-N
XLogP7.02
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.65
LogP ≤ 57.02
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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Related Compounds

N-[cyclopenta-2,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine
CID 13134377
CID 18766778
CID 18766778
Tris(bis(trimethylsilyl)azanide);cyclopenta-1,3-diene;titanium(4+)
CID 23102942
N-[[(2Z,4Z)-6-[dimethylamino(dimethyl)silyl]cycloocta-2,4,7-trien-1-yl]-dimethylsilyl]-N-methylmethanamine
CID 67633576
N-[[6-[dimethylamino(dimethyl)silyl]cycloocta-2,4,7-trien-1-yl]-dimethylsilyl]-N-methylmethanamine
CID 67633577
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride
CID 87839436
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride
CID 87839439
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride
CID 87840544
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride
CID 87840545
Cyclopenta-1,4-dien-1-yl(trimethyl)silane;tris(diethylazanide);vanadium(4+)
CID 88162122
carbanide;cyclopenta-1,3-diene;N-methylmethanamine;titanium;trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
CID 88342761
1-[3,5-bis(trimethylsilyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylsiletan-1-amine
CID 145777748

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The IUPAC name of cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (CID 173316513) is cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.
What is the SMILES notation for cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The canonical SMILES for cyclopenta-1,3-diene;tris(dimethylazanide);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.[C-]1=CC=CC1.[Ti+4].
What is the InChIKey of cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The InChIKey is HMZABIZDNHMETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Si2.C5H5.3C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-2-4-5-3-1;3*1-3-2;/h7-10H,1-6H3;1-3H,4H2;3*1-2H3;/q;4*-1;+4.
What are the key properties of cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane has a molecular weight of 443.65 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane is sourced from PubChem (CID 173316513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).