3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride

C25H23Cl3Ti — CID 173473241

IUPAC3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride
SMILESCc1cccc(C(c2cccc(C)c2)c2c(C)[cH-]c3ccccc23)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C25H23.3ClH.Ti/c1-17-8-6-11-21(14-17)25(22-12-7-9-18(2)15-22)24-19(3)16-20-10-4-5-13-23(20)24;;;;/h4-16,25H,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyJZPBNXGHWLNPES-UHFFFAOYSA-K
MW477.69 g/mol
LogP-2.33
Rot. Bonds3

About 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride

3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride (PubChem CID 173473241) has the molecular formula C25H23Cl3Ti and a molecular weight of 477.69 g/mol. Its IUPAC name is 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride.

Molecular Properties

Compound Name3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride
PubChem CID173473241
Molecular FormulaC25H23Cl3Ti
Molecular Weight477.69 g/mol
Exact Mass476.03
IUPAC Name3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride
SMILESCc1cccc(C(c2cccc(C)c2)c2c(C)[cH-]c3ccccc23)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C25H23.3ClH.Ti/c1-17-8-6-11-21(14-17)25(22-12-7-9-18(2)15-22)24-19(3)16-20-10-4-5-13-23(20)24;;;;/h4-16,25H,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyJZPBNXGHWLNPES-UHFFFAOYSA-K
XLogP-2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.69
LogP ≤ 5-2.33
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 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride?
The IUPAC name of 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride (CID 173473241) is 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride.
What is the SMILES notation for 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride?
The canonical SMILES for 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride is Cc1cccc(C(c2cccc(C)c2)c2c(C)[cH-]c3ccccc23)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride?
The InChIKey is JZPBNXGHWLNPES-UHFFFAOYSA-K. The full InChI is InChI=1S/C25H23.3ClH.Ti/c1-17-8-6-11-21(14-17)25(22-12-7-9-18(2)15-22)24-19(3)16-20-10-4-5-13-23(20)24;;;;/h4-16,25H,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride?
3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride has a molecular weight of 477.69 g/mol, XLogP of -2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methylphenyl)methyl]-2-methyl-1H-inden-1-ide;titanium(4+);trichloride is sourced from PubChem (CID 173473241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).