trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane

C55H71Cl3SiTi — CID 88592905

IUPACtrichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane
SMILESCC(C)(C)c1cc(C(C)(C)C)cc([Si](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2c3[c-]cccc3-c3ccccc32)c1.Cl[Ti+](Cl)Cl
InChIInChI=1S/C55H71Si.3ClH.Ti/c1-50(2,3)36-27-37(51(4,5)6)31-42(30-36)56(43-32-38(52(7,8)9)28-39(33-43)53(10,11)12,44-34-40(54(13,14)15)29-41(35-44)55(16,17)18)49-47-25-21-19-23-45(47)46-24-20-22-26-48(46)49;;;;/h19-25,27-35,49H,1-18H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFLOYAQCWBLZUMM-UHFFFAOYSA-K
MW914.48 g/mol
LogP15.16
Rot. Bonds4

About trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane

trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane (PubChem CID 88592905) has the molecular formula C55H71Cl3SiTi and a molecular weight of 914.48 g/mol. Its IUPAC name is trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane.

Molecular Properties

Compound Nametrichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane
PubChem CID88592905
Molecular FormulaC55H71Cl3SiTi
Molecular Weight914.48 g/mol
Exact Mass912.39
IUPAC Nametrichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane
SMILESCC(C)(C)c1cc(C(C)(C)C)cc([Si](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2c3[c-]cccc3-c3ccccc32)c1.Cl[Ti+](Cl)Cl
InChIInChI=1S/C55H71Si.3ClH.Ti/c1-50(2,3)36-27-37(51(4,5)6)31-42(30-36)56(43-32-38(52(7,8)9)28-39(33-43)53(10,11)12,44-34-40(54(13,14)15)29-41(35-44)55(16,17)18)49-47-25-21-19-23-45(47)46-24-20-22-26-48(46)49;;;;/h19-25,27-35,49H,1-18H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFLOYAQCWBLZUMM-UHFFFAOYSA-K
XLogP15.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.48
LogP ≤ 515.16
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 trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane?
The IUPAC name of trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane (CID 88592905) is trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane.
What is the SMILES notation for trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane?
The canonical SMILES for trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane is CC(C)(C)c1cc(C(C)(C)C)cc([Si](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2c3[c-]cccc3-c3ccccc32)c1.Cl[Ti+](Cl)Cl.
What is the InChIKey of trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane?
The InChIKey is FLOYAQCWBLZUMM-UHFFFAOYSA-K. The full InChI is InChI=1S/C55H71Si.3ClH.Ti/c1-50(2,3)36-27-37(51(4,5)6)31-42(30-36)56(43-32-38(52(7,8)9)28-39(33-43)53(10,11)12,44-34-40(54(13,14)15)29-41(35-44)55(16,17)18)49-47-25-21-19-23-45(47)46-24-20-22-26-48(46)49;;;;/h19-25,27-35,49H,1-18H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane?
trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane has a molecular weight of 914.48 g/mol, XLogP of 15.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane is sourced from PubChem (CID 88592905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).