bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride

C28H24Cl2SiTi-2 — CID 87101181

IUPACbis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride
SMILESC[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc2c(c1)ccc1[cH-]ccc12.c1ccc2c(c1)ccc1[cH-]ccc12
InChIInChI=1S/2C13H9.C2H6Si.2ClH.Ti/c2*1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-3-2;;;/h2*1-9H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWAOCJSYIPYUHOZ-UHFFFAOYSA-L
MW507.36 g/mol
LogP2.22
Rot. Bonds

About bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride

bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride (PubChem CID 87101181) has the molecular formula C28H24Cl2SiTi-2 and a molecular weight of 507.36 g/mol. Its IUPAC name is bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride.

Molecular Properties

Compound Namebis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride
PubChem CID87101181
Molecular FormulaC28H24Cl2SiTi-2
Molecular Weight507.36 g/mol
Exact Mass506.05
IUPAC Namebis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride
SMILESC[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc2c(c1)ccc1[cH-]ccc12.c1ccc2c(c1)ccc1[cH-]ccc12
InChIInChI=1S/2C13H9.C2H6Si.2ClH.Ti/c2*1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-3-2;;;/h2*1-9H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWAOCJSYIPYUHOZ-UHFFFAOYSA-L
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.36
LogP ≤ 52.22
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride?
The IUPAC name of bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride (CID 87101181) is bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride.
What is the SMILES notation for bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride?
The canonical SMILES for bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride is C[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc2c(c1)ccc1[cH-]ccc12.c1ccc2c(c1)ccc1[cH-]ccc12.
What is the InChIKey of bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride?
The InChIKey is WAOCJSYIPYUHOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H9.C2H6Si.2ClH.Ti/c2*1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-3-2;;;/h2*1-9H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride?
bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride has a molecular weight of 507.36 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride is sourced from PubChem (CID 87101181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).