cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride

C18H14Cl2Ti — CID 87101437

IUPACcyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;/h1-9H;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyCWJPNEFCVUHALS-UHFFFAOYSA-L
MW349.08 g/mol
LogP-0.98
Rot. Bonds

About cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride

cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride (PubChem CID 87101437) has the molecular formula C18H14Cl2Ti and a molecular weight of 349.08 g/mol. Its IUPAC name is cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
PubChem CID87101437
Molecular FormulaC18H14Cl2Ti
Molecular Weight349.08 g/mol
Exact Mass348.00
IUPAC Namecyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;/h1-9H;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyCWJPNEFCVUHALS-UHFFFAOYSA-L
XLogP-0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.08
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride (CID 87101437) is cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride is [C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride?
The InChIKey is CWJPNEFCVUHALS-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C5H5.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;/h1-9H;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride?
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride has a molecular weight of 349.08 g/mol, XLogP of -0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride is sourced from PubChem (CID 87101437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).