2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate

C32H40N2O4Si2 — CID 11685608

IUPAC2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate
SMILESCn1c(C#Cc2c(C(=O)OCC[Si](C)(C)C)c3ccccc3n2C)c(C(=O)OCC[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C32H40N2O4Si2/c1-33-25-15-11-9-13-23(25)29(31(35)37-19-21-39(3,4)5)27(33)17-18-28-30(32(36)38-20-22-40(6,7)8)24-14-10-12-16-26(24)34(28)2/h9-16H,19-22H2,1-8H3
InChIKeyBWXWRCVJBBBSRN-UHFFFAOYSA-N
MW572.85 g/mol
LogP7.06
Rot. Bonds8

About 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate

2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate (PubChem CID 11685608) has the molecular formula C32H40N2O4Si2 and a molecular weight of 572.85 g/mol. Its IUPAC name is 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate
PubChem CID11685608
Molecular FormulaC32H40N2O4Si2
Molecular Weight572.85 g/mol
Exact Mass572.25
IUPAC Name2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate
SMILESCn1c(C#Cc2c(C(=O)OCC[Si](C)(C)C)c3ccccc3n2C)c(C(=O)OCC[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C32H40N2O4Si2/c1-33-25-15-11-9-13-23(25)29(31(35)37-19-21-39(3,4)5)27(33)17-18-28-30(32(36)38-20-22-40(6,7)8)24-14-10-12-16-26(24)34(28)2/h9-16H,19-22H2,1-8H3
InChIKeyBWXWRCVJBBBSRN-UHFFFAOYSA-N
XLogP7.06
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.85
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
CID 156678798
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
ethyl 1,2,4-trimethyl-5-(2-phenylethynyl)pyrrole-3-carboxylate
CID 12604240
methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
CID 13186153
ethyl 1-methyl-3-octadecanoylindole-2-carboxylate
CID 15291155
butyl 5-methylpyrido[4,3-b]indole-3-carboxylate
CID 102310229
2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate
CID 66667646
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
CID 158104878

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate (CID 11685608) is 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate is Cn1c(C#Cc2c(C(=O)OCC[Si](C)(C)C)c3ccccc3n2C)c(C(=O)OCC[Si](C)(C)C)c2ccccc21.
What is the InChIKey of 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate?
The InChIKey is BWXWRCVJBBBSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O4Si2/c1-33-25-15-11-9-13-23(25)29(31(35)37-19-21-39(3,4)5)27(33)17-18-28-30(32(36)38-20-22-40(6,7)8)24-14-10-12-16-26(24)34(28)2/h9-16H,19-22H2,1-8H3.
What are the key properties of 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate?
2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate has a molecular weight of 572.85 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate is sourced from PubChem (CID 11685608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).