dichlorotitanium;bis(1H-inden-1-ide)

C18H14Cl2Ti-2 — CID 6711659

IUPACdichlorotitanium;bis(1H-inden-1-ide)
SMILESCl[Ti]Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2ClH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H;/q2*-1;;;+2/p-2
InChIKeyYJRQGXLFYPFFMP-UHFFFAOYSA-L
MW349.08 g/mol
LogP6.49
Rot. Bonds

About dichlorotitanium;bis(1H-inden-1-ide)

dichlorotitanium;bis(1H-inden-1-ide) (PubChem CID 6711659) has the molecular formula C18H14Cl2Ti-2 and a molecular weight of 349.08 g/mol. Its IUPAC name is dichlorotitanium;bis(1H-inden-1-ide).

Molecular Properties

Compound Namedichlorotitanium;bis(1H-inden-1-ide)
PubChem CID6711659
Molecular FormulaC18H14Cl2Ti-2
Molecular Weight349.08 g/mol
Exact Mass348.00
IUPAC Namedichlorotitanium;bis(1H-inden-1-ide)
SMILESCl[Ti]Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2ClH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H;/q2*-1;;;+2/p-2
InChIKeyYJRQGXLFYPFFMP-UHFFFAOYSA-L
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.08
LogP ≤ 56.49
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 dichlorotitanium;bis(1H-inden-1-ide)?
The IUPAC name of dichlorotitanium;bis(1H-inden-1-ide) (CID 6711659) is dichlorotitanium;bis(1H-inden-1-ide).
What is the SMILES notation for dichlorotitanium;bis(1H-inden-1-ide)?
The canonical SMILES for dichlorotitanium;bis(1H-inden-1-ide) is Cl[Ti]Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dichlorotitanium;bis(1H-inden-1-ide)?
The InChIKey is YJRQGXLFYPFFMP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.2ClH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(1H-inden-1-ide)?
dichlorotitanium;bis(1H-inden-1-ide) has a molecular weight of 349.08 g/mol, XLogP of 6.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;bis(1H-inden-1-ide) is sourced from PubChem (CID 6711659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).