tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride

C38H32Cl2Ti2-2 — CID 22327850

IUPACtetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
SMILESC=[Ti+2].C=[Ti+2].[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2CH2.2ClH.2Ti/c4*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h4*1-7H;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyRNHZJHZETUTJAM-UHFFFAOYSA-L
MW655.31 g/mol
LogP4.17
Rot. Bonds

About tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride

tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride (PubChem CID 22327850) has the molecular formula C38H32Cl2Ti2-2 and a molecular weight of 655.31 g/mol. Its IUPAC name is tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
PubChem CID22327850
Molecular FormulaC38H32Cl2Ti2-2
Molecular Weight655.31 g/mol
Exact Mass654.09
IUPAC Nametetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
SMILESC=[Ti+2].C=[Ti+2].[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2CH2.2ClH.2Ti/c4*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h4*1-7H;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyRNHZJHZETUTJAM-UHFFFAOYSA-L
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.31
LogP ≤ 54.17
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

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CID 71421360
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CID 87792956
magnesium;1H-inden-1-ide;bromide
CID 12823996
ethene;bis(1H-inden-1-ide);methanolate;zirconium(4+);chloride
CID 173230706
CID 22311255
CID 22311255
CID 173020182
CID 173020182
dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride
CID 157067966
dibromozirconium;1H-inden-1-ide
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Frequently Asked Questions

What is the IUPAC name of tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride?
The IUPAC name of tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride (CID 22327850) is tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride.
What is the SMILES notation for tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride?
The canonical SMILES for tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride is C=[Ti+2].C=[Ti+2].[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride?
The InChIKey is RNHZJHZETUTJAM-UHFFFAOYSA-L. The full InChI is InChI=1S/4C9H7.2CH2.2ClH.2Ti/c4*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h4*1-7H;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride?
tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride has a molecular weight of 655.31 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride is sourced from PubChem (CID 22327850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).