benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride

C25H34Cl2SiTi-2 — CID 173149926

IUPACbenzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+2]=[SiH]Cc1ccccc1
InChIInChI=1S/2C9H13.C7H8Si.2ClH.Ti/c2*1-6-5-7(2)9(4)8(6)3;8-6-7-4-2-1-3-5-7;;;/h2*6H,1-4H3;1-5,8H,6H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWRRNCBRSBUSLQS-UHFFFAOYSA-L
MW481.41 g/mol
LogP0.54
Rot. Bonds2

About benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride

benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride (PubChem CID 173149926) has the molecular formula C25H34Cl2SiTi-2 and a molecular weight of 481.41 g/mol. Its IUPAC name is benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namebenzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
PubChem CID173149926
Molecular FormulaC25H34Cl2SiTi-2
Molecular Weight481.41 g/mol
Exact Mass480.13
IUPAC Namebenzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+2]=[SiH]Cc1ccccc1
InChIInChI=1S/2C9H13.C7H8Si.2ClH.Ti/c2*1-6-5-7(2)9(4)8(6)3;8-6-7-4-2-1-3-5-7;;;/h2*6H,1-4H3;1-5,8H,6H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWRRNCBRSBUSLQS-UHFFFAOYSA-L
XLogP0.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 50.54
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'}

Analyze benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzhydrylidenezirconium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
CID 21465836
CID 174442586
CID 174442586
1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87514830
CID 173068076
CID 173068076
bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);zirconium(2+)
CID 18431322
neodymium(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 74765419
cobalt(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 173069398
bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
CID 173134555
1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
CID 174493495
CID 173226866
CID 173226866
benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride
CID 173229630
CID 173031450
CID 173031450

Frequently Asked Questions

What is the IUPAC name of benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
The IUPAC name of benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride (CID 173149926) is benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride is CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+2]=[SiH]Cc1ccccc1.
What is the InChIKey of benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
The InChIKey is WRRNCBRSBUSLQS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.C7H8Si.2ClH.Ti/c2*1-6-5-7(2)9(4)8(6)3;8-6-7-4-2-1-3-5-7;;;/h2*6H,1-4H3;1-5,8H,6H2;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride has a molecular weight of 481.41 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 173149926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).