tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride

C30H27Cl3Ti3 — CID 19696946

IUPACtris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride
SMILESCc1ccc2[cH-]ccc2c1.Cc1ccc2[cH-]ccc2c1.Cc1ccc2[cH-]ccc2c1.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]
InChIInChI=1S/3C10H9.3ClH.3Ti/c3*1-8-5-6-9-3-2-4-10(9)7-8;;;;;;/h3*2-7H,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyPQEKSDAPCPNDEG-UHFFFAOYSA-K
MW637.51 g/mol
LogP-0.39
Rot. Bonds

About tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride

tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride (PubChem CID 19696946) has the molecular formula C30H27Cl3Ti3 and a molecular weight of 637.51 g/mol. Its IUPAC name is tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride.

Molecular Properties

Compound Nametris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride
PubChem CID19696946
Molecular FormulaC30H27Cl3Ti3
Molecular Weight637.51 g/mol
Exact Mass635.96
IUPAC Nametris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride
SMILESCc1ccc2[cH-]ccc2c1.Cc1ccc2[cH-]ccc2c1.Cc1ccc2[cH-]ccc2c1.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]
InChIInChI=1S/3C10H9.3ClH.3Ti/c3*1-8-5-6-9-3-2-4-10(9)7-8;;;;;;/h3*2-7H,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyPQEKSDAPCPNDEG-UHFFFAOYSA-K
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.51
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));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 tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
The IUPAC name of tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride (CID 19696946) is tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride.
What is the SMILES notation for tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
The canonical SMILES for tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride is Cc1ccc2[cH-]ccc2c1.Cc1ccc2[cH-]ccc2c1.Cc1ccc2[cH-]ccc2c1.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2].
What is the InChIKey of tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
The InChIKey is PQEKSDAPCPNDEG-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H9.3ClH.3Ti/c3*1-8-5-6-9-3-2-4-10(9)7-8;;;;;;/h3*2-7H,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3.
What are the key properties of tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride has a molecular weight of 637.51 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-methyl-1H-inden-1-ide);tris(titanium(2+));trichloride is sourced from PubChem (CID 19696946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).