trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane

C28H26N2Si2 — CID 86211212

IUPACtrimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(C#C[Si](C)(C)C)c2nc3c(nc12)-c1cccc2cccc-3c12
InChIInChI=1S/C28H26N2Si2/c1-31(2,3)17-15-20-13-14-21(16-18-32(4,5)6)26-25(20)29-27-22-11-7-9-19-10-8-12-23(24(19)22)28(27)30-26/h7-14H,1-6H3
InChIKeyNTPVTFVXWLURQV-UHFFFAOYSA-N
MW446.70 g/mol
LogP6.89
Rot. Bonds

About trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane

trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane (PubChem CID 86211212) has the molecular formula C28H26N2Si2 and a molecular weight of 446.70 g/mol. Its IUPAC name is trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane
PubChem CID86211212
Molecular FormulaC28H26N2Si2
Molecular Weight446.70 g/mol
Exact Mass446.16
IUPAC Nametrimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(C#C[Si](C)(C)C)c2nc3c(nc12)-c1cccc2cccc-3c12
InChIInChI=1S/C28H26N2Si2/c1-31(2,3)17-15-20-13-14-21(16-18-32(4,5)6)26-25(20)29-27-22-11-7-9-19-10-8-12-23(24(19)22)28(27)30-26/h7-14H,1-6H3
InChIKeyNTPVTFVXWLURQV-UHFFFAOYSA-N
XLogP6.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.70
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane (CID 86211212) is trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane is C[Si](C)(C)C#Cc1ccc(C#C[Si](C)(C)C)c2nc3c(nc12)-c1cccc2cccc-3c12.
What is the InChIKey of trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane?
The InChIKey is NTPVTFVXWLURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2Si2/c1-31(2,3)17-15-20-13-14-21(16-18-32(4,5)6)26-25(20)29-27-22-11-7-9-19-10-8-12-23(24(19)22)28(27)30-26/h7-14H,1-6H3.
What are the key properties of trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane?
trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane has a molecular weight of 446.70 g/mol, XLogP of 6.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane is sourced from PubChem (CID 86211212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).