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

C24H26Cl2Ti — CID 174467662

IUPACtitanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride
SMILESCc1cc2c(C)ccc(C)c2[cH-]1.Cc1cc2c(C)ccc(C)c2[cH-]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C12H13.2ClH.Ti/c2*1-8-6-11-9(2)4-5-10(3)12(11)7-8;;;/h2*4-7H,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYMUTYFOAHXOFCT-UHFFFAOYSA-L
MW433.25 g/mol
LogP0.97
Rot. Bonds

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

titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride (PubChem CID 174467662) has the molecular formula C24H26Cl2Ti and a molecular weight of 433.25 g/mol. Its IUPAC name is titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Nametitanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride
PubChem CID174467662
Molecular FormulaC24H26Cl2Ti
Molecular Weight433.25 g/mol
Exact Mass432.09
IUPAC Nametitanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride
SMILESCc1cc2c(C)ccc(C)c2[cH-]1.Cc1cc2c(C)ccc(C)c2[cH-]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C12H13.2ClH.Ti/c2*1-8-6-11-9(2)4-5-10(3)12(11)7-8;;;/h2*4-7H,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYMUTYFOAHXOFCT-UHFFFAOYSA-L
XLogP0.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 50.97
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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Related Compounds

titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride
CID 160602181
tris(titanium(2+));tris(2,4,7-trimethyl-1H-inden-1-ide);trichloride
CID 19696978
2,4,7-trimethyl-1H-inden-1-ide;zirconium(3+);diiodide
CID 158280071
dichloro(propan-2-ylidene)zirconium;bis(2,4,7-trimethyl-1H-inden-1-ide)
CID 87482174
difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,7-trimethyl-1H-inden-1-ide
CID 154603971
CID 173057300
CID 173057300
(2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride
CID 157147300
bis(4-butan-2-yl-2,7-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 157327552
ditert-butyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane;titanium(3+);dichloride
CID 87865301
dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
CID 161403198
bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride
CID 158930778
bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+);dichloride
CID 158250313

Frequently Asked Questions

What is the IUPAC name of titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride?
The IUPAC name of titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride (CID 174467662) is titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride?
The canonical SMILES for titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride is Cc1cc2c(C)ccc(C)c2[cH-]1.Cc1cc2c(C)ccc(C)c2[cH-]1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride?
The InChIKey is YMUTYFOAHXOFCT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H13.2ClH.Ti/c2*1-8-6-11-9(2)4-5-10(3)12(11)7-8;;;/h2*4-7H,1-3H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride?
titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride has a molecular weight of 433.25 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 174467662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).