tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol)

C176H158Cl14O12S3Si4Ti4Zr3 — CID 159594674

IUPACtetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol)
SMILESCc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1.Cc1cccc(C)c1O.Cc1cccc(C)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Oc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12.Oc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12
InChIInChI=1S/2C56H42O2Si2.3C16H18O2S.2C8H10O.14ClH.4Ti.3Zr/c2*57-55-51(59(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)58)60(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48;3*1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18;2*1-6-4-3-5-7(2)8(6)9;;;;;;;;;;;;;;;;;;;;;/h2*1-40,57-58H;3*5-8,17-18H,1-4H3;2*3-5,9H,1-2H3;14*1H;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;7*+2/p-14
InChIKeyUSPLHCLPJGIPJK-UHFFFAOYSA-A
MW3635.21 g/mol
LogP42.75
Rot. Bonds24

About tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol)

tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol) (PubChem CID 159594674) has the molecular formula C176H158Cl14O12S3Si4Ti4Zr3 and a molecular weight of 3635.21 g/mol. Its IUPAC name is tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol).

Molecular Properties

Compound Nametetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol)
PubChem CID159594674
Molecular FormulaC176H158Cl14O12S3Si4Ti4Zr3
Molecular Weight3635.21 g/mol
Exact Mass3622.07
IUPAC Nametetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol)
SMILESCc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1.Cc1cccc(C)c1O.Cc1cccc(C)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Oc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12.Oc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12
InChIInChI=1S/2C56H42O2Si2.3C16H18O2S.2C8H10O.14ClH.4Ti.3Zr/c2*57-55-51(59(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)58)60(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48;3*1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18;2*1-6-4-3-5-7(2)8(6)9;;;;;;;;;;;;;;;;;;;;;/h2*1-40,57-58H;3*5-8,17-18H,1-4H3;2*3-5,9H,1-2H3;14*1H;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;7*+2/p-14
InChIKeyUSPLHCLPJGIPJK-UHFFFAOYSA-A
XLogP42.75
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003635.21
LogP ≤ 542.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol)?
The IUPAC name of tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol) (CID 159594674) is tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol).
What is the SMILES notation for tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol)?
The canonical SMILES for tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol) is Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1.Cc1cccc(C)c1O.Cc1cccc(C)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Oc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12.Oc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12.
What is the InChIKey of tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol)?
The InChIKey is USPLHCLPJGIPJK-UHFFFAOYSA-A. The full InChI is InChI=1S/2C56H42O2Si2.3C16H18O2S.2C8H10O.14ClH.4Ti.3Zr/c2*57-55-51(59(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)58)60(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48;3*1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18;2*1-6-4-3-5-7(2)8(6)9;;;;;;;;;;;;;;;;;;;;;/h2*1-40,57-58H;3*5-8,17-18H,1-4H3;2*3-5,9H,1-2H3;14*1H;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;7*+2/p-14.
What are the key properties of tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol)?
tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol) has a molecular weight of 3635.21 g/mol, XLogP of 42.75, 24 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dichlorotitanium);tris(dichlorozirconium);bis(2,6-dimethylphenol);tris(2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol);bis(1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-ol) is sourced from PubChem (CID 159594674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).