tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride

C33H33Cl3Ti3 — CID 19696940

IUPACtris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride
SMILESCc1cc(C)c2cc[cH-]c2c1.Cc1cc(C)c2cc[cH-]c2c1.Cc1cc(C)c2cc[cH-]c2c1.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]
InChIInChI=1S/3C11H11.3ClH.3Ti/c3*1-8-6-9(2)11-5-3-4-10(11)7-8;;;;;;/h3*3-7H,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyZEPKCYVFILDDBR-UHFFFAOYSA-K
MW679.59 g/mol
LogP0.53
Rot. Bonds

About tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride

tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride (PubChem CID 19696940) has the molecular formula C33H33Cl3Ti3 and a molecular weight of 679.59 g/mol. Its IUPAC name is tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride.

Molecular Properties

Compound Nametris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride
PubChem CID19696940
Molecular FormulaC33H33Cl3Ti3
Molecular Weight679.59 g/mol
Exact Mass678.01
IUPAC Nametris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride
SMILESCc1cc(C)c2cc[cH-]c2c1.Cc1cc(C)c2cc[cH-]c2c1.Cc1cc(C)c2cc[cH-]c2c1.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]
InChIInChI=1S/3C11H11.3ClH.3Ti/c3*1-8-6-9(2)11-5-3-4-10(11)7-8;;;;;;/h3*3-7H,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyZEPKCYVFILDDBR-UHFFFAOYSA-K
XLogP0.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500679.59
LogP ≤ 50.53
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 tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
The IUPAC name of tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride (CID 19696940) is tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride.
What is the SMILES notation for tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
The canonical SMILES for tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride is Cc1cc(C)c2cc[cH-]c2c1.Cc1cc(C)c2cc[cH-]c2c1.Cc1cc(C)c2cc[cH-]c2c1.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2].
What is the InChIKey of tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
The InChIKey is ZEPKCYVFILDDBR-UHFFFAOYSA-K. The full InChI is InChI=1S/3C11H11.3ClH.3Ti/c3*1-8-6-9(2)11-5-3-4-10(11)7-8;;;;;;/h3*3-7H,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3.
What are the key properties of tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride has a molecular weight of 679.59 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride is sourced from PubChem (CID 19696940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).