trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane

C35H32Si2 — CID 22020070

IUPACtrimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C#C[Si](C)(C)C)ccc1-2
InChIInChI=1S/C35H32Si2/c1-36(2,3)21-19-25-15-17-29-30-18-16-26(20-22-37(4,5)6)24-34(30)35(33(29)23-25)31-13-9-7-11-27(31)28-12-8-10-14-32(28)35/h7-18,23-24H,1-6H3
InChIKeyBZSSSEQFVFZJDN-UHFFFAOYSA-N
MW508.81 g/mol
LogP8.49
Rot. Bonds

About trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane

trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane (PubChem CID 22020070) has the molecular formula C35H32Si2 and a molecular weight of 508.81 g/mol. Its IUPAC name is trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane
PubChem CID22020070
Molecular FormulaC35H32Si2
Molecular Weight508.81 g/mol
Exact Mass508.20
IUPAC Nametrimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C#C[Si](C)(C)C)ccc1-2
InChIInChI=1S/C35H32Si2/c1-36(2,3)21-19-25-15-17-29-30-18-16-26(20-22-37(4,5)6)24-34(30)35(33(29)23-25)31-13-9-7-11-27(31)28-12-8-10-14-32(28)35/h7-18,23-24H,1-6H3
InChIKeyBZSSSEQFVFZJDN-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.81
LogP ≤ 58.49
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane (CID 22020070) is trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane is C[Si](C)(C)C#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C#C[Si](C)(C)C)ccc1-2.
What is the InChIKey of trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane?
The InChIKey is BZSSSEQFVFZJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32Si2/c1-36(2,3)21-19-25-15-17-29-30-18-16-26(20-22-37(4,5)6)24-34(30)35(33(29)23-25)31-13-9-7-11-27(31)28-12-8-10-14-32(28)35/h7-18,23-24H,1-6H3.
What are the key properties of trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane?
trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane has a molecular weight of 508.81 g/mol, XLogP of 8.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane is sourced from PubChem (CID 22020070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).