2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride

C23H24Cl2Ti-2 — CID 87675310

IUPAC2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride
SMILESCC(C)=[Ti+2].CC1=[C-]C(C)C=C1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C7H9.C3H6.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-3-4-7(2)5-6;1-3-2;;;/h1-9H;3-4,6H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPSAOUBSXFPJWDT-UHFFFAOYSA-L
MW419.22 g/mol
LogP0.41
Rot. Bonds

About 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride

2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride (PubChem CID 87675310) has the molecular formula C23H24Cl2Ti-2 and a molecular weight of 419.22 g/mol. Its IUPAC name is 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride.

Molecular Properties

Compound Name2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride
PubChem CID87675310
Molecular FormulaC23H24Cl2Ti-2
Molecular Weight419.22 g/mol
Exact Mass418.07
IUPAC Name2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride
SMILESCC(C)=[Ti+2].CC1=[C-]C(C)C=C1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C7H9.C3H6.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-3-4-7(2)5-6;1-3-2;;;/h1-9H;3-4,6H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPSAOUBSXFPJWDT-UHFFFAOYSA-L
XLogP0.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.22
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride with MolForge

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Related Compounds

9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride
CID 87146509
2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87466052
(3,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylsilane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87464901
benzhydrylidenezirconium(2+);9H-fluoren-9-ide;3-(3-methylcyclopenta-1,4-dien-1-yl)thiophene;dichloride
CID 87140353
bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride
CID 22672391
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
CID 173188454
CID 173188454
2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride
CID 87676553
cyclohexylidenezirconium(2+);2,5-dimethyl-3-propan-2-ylcyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87464193
CID 173225769
CID 173225769
2-tert-butyl-5-methylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dihydrochloride
CID 87410136
2-tert-butyl-5-methylcyclopenta-1,3-diene;9H-fluoren-9-ide;1-phenylethylidenezirconium(2+);dichloride
CID 87070538

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride?
The IUPAC name of 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride (CID 87675310) is 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride.
What is the SMILES notation for 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride?
The canonical SMILES for 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride is CC(C)=[Ti+2].CC1=[C-]C(C)C=C1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride?
The InChIKey is PSAOUBSXFPJWDT-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C7H9.C3H6.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-3-4-7(2)5-6;1-3-2;;;/h1-9H;3-4,6H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride?
2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride has a molecular weight of 419.22 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride is sourced from PubChem (CID 87675310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).