carbanide;1H-inden-1-ide;titanium(3+);trichloride

C10H10Cl3Ti-2 — CID 157275442

IUPACcarbanide;1H-inden-1-ide;titanium(3+);trichloride
SMILES[CH3-].[Cl-].[Cl-].[Cl-].[Ti+3].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.CH3.3ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;;;/h1-7H;1H3;3*1H;/q2*-1;;;;+3/p-3
InChIKeyIWLFKBDKHZLFJZ-UHFFFAOYSA-K
MW284.42 g/mol
LogP-5.98
Rot. Bonds

About carbanide;1H-inden-1-ide;titanium(3+);trichloride

carbanide;1H-inden-1-ide;titanium(3+);trichloride (PubChem CID 157275442) has the molecular formula C10H10Cl3Ti-2 and a molecular weight of 284.42 g/mol. Its IUPAC name is carbanide;1H-inden-1-ide;titanium(3+);trichloride.

Molecular Properties

Compound Namecarbanide;1H-inden-1-ide;titanium(3+);trichloride
PubChem CID157275442
Molecular FormulaC10H10Cl3Ti-2
Molecular Weight284.42 g/mol
Exact Mass282.93
IUPAC Namecarbanide;1H-inden-1-ide;titanium(3+);trichloride
SMILES[CH3-].[Cl-].[Cl-].[Cl-].[Ti+3].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.CH3.3ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;;;/h1-7H;1H3;3*1H;/q2*-1;;;;+3/p-3
InChIKeyIWLFKBDKHZLFJZ-UHFFFAOYSA-K
XLogP-5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 5-5.98
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 carbanide;1H-inden-1-ide;titanium(3+);trichloride?
The IUPAC name of carbanide;1H-inden-1-ide;titanium(3+);trichloride (CID 157275442) is carbanide;1H-inden-1-ide;titanium(3+);trichloride.
What is the SMILES notation for carbanide;1H-inden-1-ide;titanium(3+);trichloride?
The canonical SMILES for carbanide;1H-inden-1-ide;titanium(3+);trichloride is [CH3-].[Cl-].[Cl-].[Cl-].[Ti+3].c1ccc2[cH-]ccc2c1.
What is the InChIKey of carbanide;1H-inden-1-ide;titanium(3+);trichloride?
The InChIKey is IWLFKBDKHZLFJZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H7.CH3.3ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;;;/h1-7H;1H3;3*1H;/q2*-1;;;;+3/p-3.
What are the key properties of carbanide;1H-inden-1-ide;titanium(3+);trichloride?
carbanide;1H-inden-1-ide;titanium(3+);trichloride has a molecular weight of 284.42 g/mol, XLogP of -5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1H-inden-1-ide;titanium(3+);trichloride is sourced from PubChem (CID 157275442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).