[1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride

C24H19Cl2SiTi — CID 87867246

IUPAC[1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride
SMILESC[Si](C)=c1ccc2c(c1C1C=Cc3ccccc31)[C-]=c1ccccc1=2.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C24H19Si.2ClH.Ti/c1-25(2)23-14-13-20-19-10-6-4-8-17(19)15-22(20)24(23)21-12-11-16-7-3-5-9-18(16)21;;;/h3-14,21H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyDXDPGZHCFZENAH-UHFFFAOYSA-L
MW454.28 g/mol
LogP-1.26
Rot. Bonds1

About [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride

[1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride (PubChem CID 87867246) has the molecular formula C24H19Cl2SiTi and a molecular weight of 454.28 g/mol. Its IUPAC name is [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Name[1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride
PubChem CID87867246
Molecular FormulaC24H19Cl2SiTi
Molecular Weight454.28 g/mol
Exact Mass453.01
IUPAC Name[1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride
SMILESC[Si](C)=c1ccc2c(c1C1C=Cc3ccccc31)[C-]=c1ccccc1=2.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C24H19Si.2ClH.Ti/c1-25(2)23-14-13-20-19-10-6-4-8-17(19)15-22(20)24(23)21-12-11-16-7-3-5-9-18(16)21;;;/h3-14,21H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyDXDPGZHCFZENAH-UHFFFAOYSA-L
XLogP-1.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.28
LogP ≤ 5-1.26
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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Related Compounds

[1,2-bis(1H-inden-1-yl)fluoren-3-ylidene]-dimethylsilane
CID 173327151
(1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride
CID 87676891
CID 173106411
CID 173106411
3,6-ditert-butyl-2-cyclohexylidene-1-(1H-inden-1-yl)-9H-fluoren-9-ide;zirconium(3+);dichloride
CID 87438959
CID 173308465
CID 173308465
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
(1S)-1-phenyl-1H-indene
CID 86309914
1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride
CID 87402290
dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride
CID 18786229
1-(2-methoxyphenyl)-1H-indene
CID 15345370

Frequently Asked Questions

What is the IUPAC name of [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride (CID 87867246) is [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride is C[Si](C)=c1ccc2c(c1C1C=Cc3ccccc31)[C-]=c1ccccc1=2.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride?
The InChIKey is DXDPGZHCFZENAH-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H19Si.2ClH.Ti/c1-25(2)23-14-13-20-19-10-6-4-8-17(19)15-22(20)24(23)21-12-11-16-7-3-5-9-18(16)21;;;/h3-14,21H,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride?
[1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride has a molecular weight of 454.28 g/mol, XLogP of -1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-inden-1-yl)-9H-fluoren-9-id-2-ylidene]-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 87867246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).