dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride

C21H21ClSiTi — CID 87402290

IUPACdimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride
SMILESC1=CC([CH-]C2C=Cc3ccccc32)c2ccccc21.C[Si](C)=[Ti+2].[Cl-]
InChIInChI=1S/C19H15.C2H6Si.ClH.Ti/c1-3-7-18-14(5-1)9-11-16(18)13-17-12-10-15-6-2-4-8-19(15)17;1-3-2;;/h1-13,16-17H;1-2H3;1H;/q-1;;;+2/p-1
InChIKeyUOKCZIWYGYMHNV-UHFFFAOYSA-M
MW384.81 g/mol
LogP2.60
Rot. Bonds2

About dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride

dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride (PubChem CID 87402290) has the molecular formula C21H21ClSiTi and a molecular weight of 384.81 g/mol. Its IUPAC name is dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride.

Molecular Properties

Compound Namedimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride
PubChem CID87402290
Molecular FormulaC21H21ClSiTi
Molecular Weight384.81 g/mol
Exact Mass384.06
IUPAC Namedimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride
SMILESC1=CC([CH-]C2C=Cc3ccccc32)c2ccccc21.C[Si](C)=[Ti+2].[Cl-]
InChIInChI=1S/C19H15.C2H6Si.ClH.Ti/c1-3-7-18-14(5-1)9-11-16(18)13-17-12-10-15-6-2-4-8-19(15)17;1-3-2;;/h1-13,16-17H;1-2H3;1H;/q-1;;;+2/p-1
InChIKeyUOKCZIWYGYMHNV-UHFFFAOYSA-M
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 52.60
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 dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride 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

dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride
CID 18786229
CID 10809432
CID 10809432
CID 119077465
CID 119077465
CID 173308465
CID 173308465
CID 119077184
CID 119077184
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
CID 140993072
CID 140993072
1-[2-(1H-inden-1-yl)ethyl]-1H-indene;propane;zirconium
CID 162275229
CID 18688288
CID 18688288
1H-inden-1-amine
CID 14298803
bis(1H-inden-1-yl)-dimethylsilane
CID 599429
1H-inden-1-yl(trimethyl)plumbane
CID 23269464

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride?
The IUPAC name of dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride (CID 87402290) is dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride.
What is the SMILES notation for dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride?
The canonical SMILES for dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride is C1=CC([CH-]C2C=Cc3ccccc32)c2ccccc21.C[Si](C)=[Ti+2].[Cl-].
What is the InChIKey of dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride?
The InChIKey is UOKCZIWYGYMHNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15.C2H6Si.ClH.Ti/c1-3-7-18-14(5-1)9-11-16(18)13-17-12-10-15-6-2-4-8-19(15)17;1-3-2;;/h1-13,16-17H;1-2H3;1H;/q-1;;;+2/p-1.
What are the key properties of dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride?
dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride has a molecular weight of 384.81 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride is sourced from PubChem (CID 87402290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).