tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane

C57H65F3Si2 — CID 139042992

IUPACtricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane
SMILESFC(F)(F)c1ccc2cc3c(C#C[Si](C4CCCC4)(C4CCCC4)C4CCCC4)c4cc5ccccc5cc4c(C#C[Si](C4CCCC4)(C4CCCC4)C4CCCC4)c3cc2c1
InChIInChI=1S/C57H65F3Si2/c58-57(59,60)44-30-29-42-38-55-51(31-33-61(45-17-3-4-18-45,46-19-5-6-20-46)47-21-7-8-22-47)53-36-40-15-1-2-16-41(40)37-54(53)52(56(55)39-43(42)35-44)32-34-62(48-23-9-10-24-48,49-25-11-12-26-49)50-27-13-14-28-50/h1-2,15-16,29-30,35-39,45-50H,3-14,17-28H2
InChIKeyJCHOQFNWQZXRJC-UHFFFAOYSA-N
MW863.31 g/mol
LogP17.66
Rot. Bonds6

About tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane

tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane (PubChem CID 139042992) has the molecular formula C57H65F3Si2 and a molecular weight of 863.31 g/mol. Its IUPAC name is tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane.

Molecular Properties

Compound Nametricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane
PubChem CID139042992
Molecular FormulaC57H65F3Si2
Molecular Weight863.31 g/mol
Exact Mass862.46
IUPAC Nametricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane
SMILESFC(F)(F)c1ccc2cc3c(C#C[Si](C4CCCC4)(C4CCCC4)C4CCCC4)c4cc5ccccc5cc4c(C#C[Si](C4CCCC4)(C4CCCC4)C4CCCC4)c3cc2c1
InChIInChI=1S/C57H65F3Si2/c58-57(59,60)44-30-29-42-38-55-51(31-33-61(45-17-3-4-18-45,46-19-5-6-20-46)47-21-7-8-22-47)53-36-40-15-1-2-16-41(40)37-54(53)52(56(55)39-43(42)35-44)32-34-62(48-23-9-10-24-48,49-25-11-12-26-49)50-27-13-14-28-50/h1-2,15-16,29-30,35-39,45-50H,3-14,17-28H2
InChIKeyJCHOQFNWQZXRJC-UHFFFAOYSA-N
XLogP17.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.31
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,13-Bis(triisopropylsilylethynyl)pentacene
CID 15530606
Tri(propan-2-yl)-[2-[2-(trifluoromethyl)-13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl]silane
CID 139042993
2-[2,21-Bis[3,5-bis(trifluoromethyl)phenyl]-10,11,12,13,29,30,31,32-octafluoro-17,25,36-tris[2-tri(propan-2-yl)silylethynyl]-6-nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1,3(20),4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35,37-nonadecaenyl]ethynyl-tri(propan-2-yl)silane
CID 101952844
2-[2,21-Bis[3,5-bis(trifluoromethyl)phenyl]-10,11,12,13,29,30,31,32-octafluoro-17,25,36-tris[2-[tris(2-methylpropyl)silyl]ethynyl]-6-nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1,3(20),4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35,37-nonadecaenyl]ethynyl-tris(2-methylpropyl)silane
CID 101952845
2-[2,21-Bis[3,5-bis(trifluoromethyl)phenyl]-10,11,12,13,29,30,31,32-octafluoro-17,25,36-tris(2-tricyclopentylsilylethynyl)-6-nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1,3(20),4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35,37-nonadecaenyl]ethynyl-tricyclopentylsilane
CID 101952846
2-[13-(10-Fluoroanthracen-9-yl)pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 102431283
Tripropyl-[2-[2-(trifluoromethyl)-13-(2-tripropylsilylethynyl)pentacen-6-yl]ethynyl]silane
CID 139042994
dimethyl-phenyl-[[7-[4-(trifluoromethyl)phenyl](C60-Ih)[5,6]fulleren-1-yl]methyl]silane
CID 139258134
6,13-Bis(triethylsilylethynyl)pentacene
CID 15530604
6,13-Bis(2-((1,1-dimethylethyl)dimethylsilyl)ethynyl)pentacene
CID 15530605
Tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethynyl]pentacen-2-yl]ethynyl]silane
CID 22061720
5,14-Bis(triisopropylsilylethynyl) pentacene
CID 23440033

Frequently Asked Questions

What is the IUPAC name of tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane?
The IUPAC name of tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane (CID 139042992) is tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane.
What is the SMILES notation for tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane?
The canonical SMILES for tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane is FC(F)(F)c1ccc2cc3c(C#C[Si](C4CCCC4)(C4CCCC4)C4CCCC4)c4cc5ccccc5cc4c(C#C[Si](C4CCCC4)(C4CCCC4)C4CCCC4)c3cc2c1.
What is the InChIKey of tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane?
The InChIKey is JCHOQFNWQZXRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H65F3Si2/c58-57(59,60)44-30-29-42-38-55-51(31-33-61(45-17-3-4-18-45,46-19-5-6-20-46)47-21-7-8-22-47)53-36-40-15-1-2-16-41(40)37-54(53)52(56(55)39-43(42)35-44)32-34-62(48-23-9-10-24-48,49-25-11-12-26-49)50-27-13-14-28-50/h1-2,15-16,29-30,35-39,45-50H,3-14,17-28H2.
What are the key properties of tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane?
tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane has a molecular weight of 863.31 g/mol, XLogP of 17.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclopentyl-[2-[13-(2-tricyclopentylsilylethynyl)-2-(trifluoromethyl)pentacen-6-yl]ethynyl]silane is sourced from PubChem (CID 139042992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).