trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane

C73H88Si2 — CID 15527428

IUPACtrimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane
SMILESC[Si](C)(C)C#CC(C#CC(C#CC(C#CC(C#CC(C#C[Si](C)(C)C)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C73H88Si2/c1-74(2,3)17-15-57(72-65-36-50-22-51(38-65)39-66(72)37-50)13-11-55(70-61-28-46-20-47(30-61)31-62(70)29-46)9-7-54(69-59-24-44-19-45(26-59)27-60(69)25-44)8-10-56(71-63-32-48-21-49(34-63)35-64(71)33-48)12-14-58(16-18-75(4,5)6)73-67-40-52-23-53(42-67)43-68(73)41-52/h44-53,59-68H,19-43H2,1-6H3/b69-54?,70-55-,71-56-,72-57-,73-58-
InChIKeyBVDBXEOTARIHAL-YNNINGCRSA-N
MW1021.68 g/mol
LogP16.53
Rot. Bonds

About trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane

trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane (PubChem CID 15527428) has the molecular formula C73H88Si2 and a molecular weight of 1021.68 g/mol. Its IUPAC name is trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane
PubChem CID15527428
Molecular FormulaC73H88Si2
Molecular Weight1021.68 g/mol
Exact Mass1020.64
IUPAC Nametrimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane
SMILESC[Si](C)(C)C#CC(C#CC(C#CC(C#CC(C#CC(C#C[Si](C)(C)C)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C73H88Si2/c1-74(2,3)17-15-57(72-65-36-50-22-51(38-65)39-66(72)37-50)13-11-55(70-61-28-46-20-47(30-61)31-62(70)29-46)9-7-54(69-59-24-44-19-45(26-59)27-60(69)25-44)8-10-56(71-63-32-48-21-49(34-63)35-64(71)33-48)12-14-58(16-18-75(4,5)6)73-67-40-52-23-53(42-67)43-68(73)41-52/h44-53,59-68H,19-43H2,1-6H3/b69-54?,70-55-,71-56-,72-57-,73-58-
InChIKeyBVDBXEOTARIHAL-YNNINGCRSA-N
XLogP16.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.68
LogP ≤ 516.53
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'}

Analyze trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]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

3,4-Dicyclohexyl-2-[2-[3,4-dicyclohexyl-5-[2-(3,4-dicyclohexyl-1,1-diethylsilol-2-yl)ethynyl]-1,1-diethylsilol-2-yl]ethynyl]-1,1-diethyl-5-methylsilole
CID 140442044
Dicyclohexyl-bis[3-(4-cyclohexylcyclohexyl)but-2-en-2-yl]silane
CID 145811882
Tricyclohexyl-[3-[4-[4-(3-tricyclohexylsilylbut-2-en-2-yl)cyclohexyl]cyclohexyl]but-2-en-2-yl]silane
CID 145811910
[3-(2-Adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10688552
Trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
CID 10695054
Trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane
CID 11028819

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane?
The IUPAC name of trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane (CID 15527428) is trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane.
What is the SMILES notation for trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane?
The canonical SMILES for trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane is C[Si](C)(C)C#CC(C#CC(C#CC(C#CC(C#CC(C#C[Si](C)(C)C)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane?
The InChIKey is BVDBXEOTARIHAL-YNNINGCRSA-N. The full InChI is InChI=1S/C73H88Si2/c1-74(2,3)17-15-57(72-65-36-50-22-51(38-65)39-66(72)37-50)13-11-55(70-61-28-46-20-47(30-61)31-62(70)29-46)9-7-54(69-59-24-44-19-45(26-59)27-60(69)25-44)8-10-56(71-63-32-48-21-49(34-63)35-64(71)33-48)12-14-58(16-18-75(4,5)6)73-67-40-52-23-53(42-67)43-68(73)41-52/h44-53,59-68H,19-43H2,1-6H3/b69-54?,70-55-,71-56-,72-57-,73-58-.
What are the key properties of trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane?
trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane has a molecular weight of 1021.68 g/mol, XLogP of 16.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane is sourced from PubChem (CID 15527428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).