titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride

C12H13Cl3Ti — CID 160602181

IUPACtitanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride
SMILESCc1cc2c(C)ccc(C)c2[cH-]1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C12H13.3ClH.Ti/c1-8-6-11-9(2)4-5-10(3)12(11)7-8;;;;/h4-7H,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyJRCAVOLEKKQQHP-UHFFFAOYSA-K
MW311.46 g/mol
LogP-5.51
Rot. Bonds

About titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride

titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride (PubChem CID 160602181) has the molecular formula C12H13Cl3Ti and a molecular weight of 311.46 g/mol. Its IUPAC name is titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride.

Molecular Properties

Compound Nametitanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride
PubChem CID160602181
Molecular FormulaC12H13Cl3Ti
Molecular Weight311.46 g/mol
Exact Mass309.96
IUPAC Nametitanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride
SMILESCc1cc2c(C)ccc(C)c2[cH-]1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C12H13.3ClH.Ti/c1-8-6-11-9(2)4-5-10(3)12(11)7-8;;;;/h4-7H,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyJRCAVOLEKKQQHP-UHFFFAOYSA-K
XLogP-5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 5-5.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride 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 titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride?
The IUPAC name of titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride (CID 160602181) is titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride.
What is the SMILES notation for titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride?
The canonical SMILES for titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride is Cc1cc2c(C)ccc(C)c2[cH-]1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride?
The InChIKey is JRCAVOLEKKQQHP-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H13.3ClH.Ti/c1-8-6-11-9(2)4-5-10(3)12(11)7-8;;;;/h4-7H,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride?
titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride has a molecular weight of 311.46 g/mol, XLogP of -5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride is sourced from PubChem (CID 160602181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).