inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)

C27H21Cl3SiTi — CID 88592937

IUPACinden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)
SMILESCl[Ti+](Cl)Cl.c1ccc([Si](c2ccccc2)(c2ccccc2)[c-]2ccc3ccccc32)cc1
InChIInChI=1S/C27H21Si.3ClH.Ti/c1-4-13-23(14-5-1)28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)27-21-20-22-12-10-11-19-26(22)27;;;;/h1-21H;3*1H;/q-1;;;;+4/p-3
InChIKeyLAWYLLOIKKIBDZ-UHFFFAOYSA-K
MW527.78 g/mol
LogP6.00
Rot. Bonds4

About inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)

inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+) (PubChem CID 88592937) has the molecular formula C27H21Cl3SiTi and a molecular weight of 527.78 g/mol. Its IUPAC name is inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+).

Molecular Properties

Compound Nameinden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)
PubChem CID88592937
Molecular FormulaC27H21Cl3SiTi
Molecular Weight527.78 g/mol
Exact Mass526.00
IUPAC Nameinden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)
SMILESCl[Ti+](Cl)Cl.c1ccc([Si](c2ccccc2)(c2ccccc2)[c-]2ccc3ccccc32)cc1
InChIInChI=1S/C27H21Si.3ClH.Ti/c1-4-13-23(14-5-1)28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)27-21-20-22-12-10-11-19-26(22)27;;;;/h1-21H;3*1H;/q-1;;;;+4/p-3
InChIKeyLAWYLLOIKKIBDZ-UHFFFAOYSA-K
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.78
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)?
The IUPAC name of inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+) (CID 88592937) is inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+).
What is the SMILES notation for inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)?
The canonical SMILES for inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+) is Cl[Ti+](Cl)Cl.c1ccc([Si](c2ccccc2)(c2ccccc2)[c-]2ccc3ccccc32)cc1.
What is the InChIKey of inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)?
The InChIKey is LAWYLLOIKKIBDZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C27H21Si.3ClH.Ti/c1-4-13-23(14-5-1)28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)27-21-20-22-12-10-11-19-26(22)27;;;;/h1-21H;3*1H;/q-1;;;;+4/p-3.
What are the key properties of inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+)?
inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+) has a molecular weight of 527.78 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for inden-1-id-1-yl(triphenyl)silane;trichlorotitanium(1+) is sourced from PubChem (CID 88592937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).