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

C20H42N2Si2Ti — CID 173316475

IUPACcarbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
SMILESC[N-]C.C[N-]C.C[Si](C)(C)C=CC=C[Si](C)(C)C.[C-]1=CC=CC1.[CH3-].[Ti+4]
InChIInChI=1S/C10H22Si2.C5H5.2C2H6N.CH3.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-2-4-5-3-1;2*1-3-2;;/h7-10H,1-6H3;1-3H,4H2;2*1-2H3;1H3;/q;4*-1;+4
InChIKeyBUNOALFUXSDAQD-UHFFFAOYSA-N
MW414.61 g/mol
LogP6.85
Rot. Bonds3

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

carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (PubChem CID 173316475) has the molecular formula C20H42N2Si2Ti and a molecular weight of 414.61 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
PubChem CID173316475
Molecular FormulaC20H42N2Si2Ti
Molecular Weight414.61 g/mol
Exact Mass414.24
IUPAC Namecarbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
SMILESC[N-]C.C[N-]C.C[Si](C)(C)C=CC=C[Si](C)(C)C.[C-]1=CC=CC1.[CH3-].[Ti+4]
InChIInChI=1S/C10H22Si2.C5H5.2C2H6N.CH3.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-2-4-5-3-1;2*1-3-2;;/h7-10H,1-6H3;1-3H,4H2;2*1-2H3;1H3;/q;4*-1;+4
InChIKeyBUNOALFUXSDAQD-UHFFFAOYSA-N
XLogP6.85
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.61
LogP ≤ 56.85
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 carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The IUPAC name of carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (CID 173316475) is carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane is C[N-]C.C[N-]C.C[Si](C)(C)C=CC=C[Si](C)(C)C.[C-]1=CC=CC1.[CH3-].[Ti+4].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
The InChIKey is BUNOALFUXSDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Si2.C5H5.2C2H6N.CH3.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-2-4-5-3-1;2*1-3-2;;/h7-10H,1-6H3;1-3H,4H2;2*1-2H3;1H3;/q;4*-1;+4.
What are the key properties of carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?
carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane has a molecular weight of 414.61 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;bis(dimethylazanide);titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane is sourced from PubChem (CID 173316475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).