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

C22H22Cl2Ti-2 — CID 87146509

IUPAC9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride
SMILESCC(C)=[Ti+2].CC1=[C-]CC=C1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H7.C3H6.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-6;1-3-2;;;/h1-9H;2,4H,3H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFCDQTFNURGUQFN-UHFFFAOYSA-L
MW405.19 g/mol
LogP0.16
Rot. Bonds

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

9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride (PubChem CID 87146509) has the molecular formula C22H22Cl2Ti-2 and a molecular weight of 405.19 g/mol. Its IUPAC name is 9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride.

Molecular Properties

Compound Name9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride
PubChem CID87146509
Molecular FormulaC22H22Cl2Ti-2
Molecular Weight405.19 g/mol
Exact Mass404.06
IUPAC Name9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride
SMILESCC(C)=[Ti+2].CC1=[C-]CC=C1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H7.C3H6.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-6;1-3-2;;;/h1-9H;2,4H,3H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFCDQTFNURGUQFN-UHFFFAOYSA-L
XLogP0.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride?
The IUPAC name of 9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride (CID 87146509) is 9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride.
What is the SMILES notation for 9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride?
The canonical SMILES for 9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride is CC(C)=[Ti+2].CC1=[C-]CC=C1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of 9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride?
The InChIKey is FCDQTFNURGUQFN-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C6H7.C3H6.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-6;1-3-2;;;/h1-9H;2,4H,3H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride?
9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride has a molecular weight of 405.19 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride is sourced from PubChem (CID 87146509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).