trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane

C26H28Si2 — CID 14940711

IUPACtrimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H28Si2/c1-27(2,3)17-15-23-24(16-18-28(4,5)6)26-21-13-9-7-11-19(21)25(23)20-12-8-10-14-22(20)26/h7-14,25-26H,1-6H3
InChIKeySQCGHVCVUJDWHV-UHFFFAOYSA-N
MW396.68 g/mol
LogP6.34
Rot. Bonds

About trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane

trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane (PubChem CID 14940711) has the molecular formula C26H28Si2 and a molecular weight of 396.68 g/mol. Its IUPAC name is trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane
PubChem CID14940711
Molecular FormulaC26H28Si2
Molecular Weight396.68 g/mol
Exact Mass396.17
IUPAC Nametrimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H28Si2/c1-27(2,3)17-15-23-24(16-18-28(4,5)6)26-21-13-9-7-11-19(21)25(23)20-12-8-10-14-22(20)26/h7-14,25-26H,1-6H3
InChIKeySQCGHVCVUJDWHV-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.68
LogP ≤ 56.34
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-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane with MolForge

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Related Compounds

((1,1'-Biphenyl)-4-ylethynyl)trimethylsilane
CID 12579655
9,10-Ethenoanthracene, 9,10-dihydro-
CID 137698
2-Phenyltetralin
CID 34581
9,10-Di(trimethylsilylethynyl)anthracene
CID 4176729
6,13-Bis(trimethylsilylethynyl)pentacene
CID 15530603
6,13-Bis(triisopropylsilylethynyl)pentacene
CID 15530606
9,10-Bis[(triisopropylsilyl)ethynyl]anthracene
CID 71310996
1-Phenyl-4-(1-phenylethyl)tetralin
CID 12865558
Anthracene, 9,10-dihydro-9,10-dimethyl-
CID 606352
Anthracene, 9-ethyl-9,10-dihydro-10-methyl-
CID 606358
1-(1-Naphthyl)-2-(trimethylsilyl)acetylene
CID 4438232
Anthracene, 9,10-dibutyl-9,10-dihydro-
CID 601803

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane (CID 14940711) is trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane is C[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)C2c3ccccc3C1c1ccccc12.
What is the InChIKey of trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane?
The InChIKey is SQCGHVCVUJDWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Si2/c1-27(2,3)17-15-23-24(16-18-28(4,5)6)26-21-13-9-7-11-19(21)25(23)20-12-8-10-14-22(20)26/h7-14,25-26H,1-6H3.
What are the key properties of trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane?
trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane has a molecular weight of 396.68 g/mol, XLogP of 6.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane is sourced from PubChem (CID 14940711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).