tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane

C62H60Si2 — CID 24755418

IUPACtert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane
SMILESCC(C)(C)[Si](C)(C)C#CC(C#CC(C#CC(C#C[Si](C)(C)C(C)(C)C)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H60Si2/c1-61(2,3)63(7,8)47-45-56(59(51-33-21-13-22-34-51)52-35-23-14-24-36-52)43-41-55(58(49-29-17-11-18-30-49)50-31-19-12-20-32-50)42-44-57(46-48-64(9,10)62(4,5)6)60(53-37-25-15-26-38-53)54-39-27-16-28-40-54/h11-40H,1-10H3
InChIKeyJNPLQIWTUFPGCP-UHFFFAOYSA-N
MW861.33 g/mol
LogP15.60
Rot. Bonds6

About tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane

tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane (PubChem CID 24755418) has the molecular formula C62H60Si2 and a molecular weight of 861.33 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane
PubChem CID24755418
Molecular FormulaC62H60Si2
Molecular Weight861.33 g/mol
Exact Mass860.42
IUPAC Nametert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane
SMILESCC(C)(C)[Si](C)(C)C#CC(C#CC(C#CC(C#C[Si](C)(C)C(C)(C)C)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H60Si2/c1-61(2,3)63(7,8)47-45-56(59(51-33-21-13-22-34-51)52-35-23-14-24-36-52)43-41-55(58(49-29-17-11-18-30-49)50-31-19-12-20-32-50)42-44-57(46-48-64(9,10)62(4,5)6)60(53-37-25-15-26-38-53)54-39-27-16-28-40-54/h11-40H,1-10H3
InChIKeyJNPLQIWTUFPGCP-UHFFFAOYSA-N
XLogP15.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.33
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4,4'',4'''',4''''''-Silanetetrayltetrakis(1,1'-biphenyl)
CID 76878
1,1'-Biphenyl, 4-(triphenylsilyl)-
CID 76637
Diphenyldi(O-tolyl)silane
CID 3522575
Bis(phenylethynyl)diphenylsilane
CID 5213428
4,4''-(Diphenylsilylene)bis(1,1'-biphenyl)
CID 76636
6,13-Bis(trimethylsilylethynyl)pentacene
CID 15530603
6,13-Bis(triisopropylsilylethynyl)pentacene
CID 15530606
Bis-diphenylethyl disiloxane
CID 71420565
Trimethyl(triphenylmethyl)silane
CID 298152
1,1-Dimethyl-2,3,4,5-tetraphenylsilole
CID 5105497
Phenyltribenzylsilane
CID 233881
Diphenyl(diphenylmethyl)silane
CID 3631522

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane (CID 24755418) is tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane is CC(C)(C)[Si](C)(C)C#CC(C#CC(C#CC(C#C[Si](C)(C)C(C)(C)C)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane?
The InChIKey is JNPLQIWTUFPGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H60Si2/c1-61(2,3)63(7,8)47-45-56(59(51-33-21-13-22-34-51)52-35-23-14-24-36-52)43-41-55(58(49-29-17-11-18-30-49)50-31-19-12-20-32-50)42-44-57(46-48-64(9,10)62(4,5)6)60(53-37-25-15-26-38-53)54-39-27-16-28-40-54/h11-40H,1-10H3.
What are the key properties of tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane?
tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane has a molecular weight of 861.33 g/mol, XLogP of 15.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane is sourced from PubChem (CID 24755418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).