1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one

C23H33NOSi2 — CID 138970889

IUPAC1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one
SMILESCc1cccc2c1C(C[Si](C)(C)C)(c1ccccc1[Si](C)(C)C)C(=O)N2C
InChIInChI=1S/C23H33NOSi2/c1-17-12-11-14-19-21(17)23(16-26(3,4)5,22(25)24(19)2)18-13-9-10-15-20(18)27(6,7)8/h9-15H,16H2,1-8H3
InChIKeyPFSYKMFYVGDRST-UHFFFAOYSA-N
MW395.70 g/mol
LogP5.14
Rot. Bonds4

About 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one

1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one (PubChem CID 138970889) has the molecular formula C23H33NOSi2 and a molecular weight of 395.70 g/mol. Its IUPAC name is 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one
PubChem CID138970889
Molecular FormulaC23H33NOSi2
Molecular Weight395.70 g/mol
Exact Mass395.21
IUPAC Name1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one
SMILESCc1cccc2c1C(C[Si](C)(C)C)(c1ccccc1[Si](C)(C)C)C(=O)N2C
InChIInChI=1S/C23H33NOSi2/c1-17-12-11-14-19-21(17)23(16-26(3,4)5,22(25)24(19)2)18-13-9-10-15-20(18)27(6,7)8/h9-15H,16H2,1-8H3
InChIKeyPFSYKMFYVGDRST-UHFFFAOYSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.70
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1',4'-dimethylspiro[1,2-dihydroindene-3,3'-indole]-2'-one
CID 102369514
3,3-difluoro-1,4-dimethylindol-2-one;ethane
CID 164860376
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
(4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione
CID 102430781
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
(3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one
CID 166440502
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
CID 132527977
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methylspiro[benzimidazole-2,3'-indole]-2'-one
CID 659228
3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one
CID 138984759

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one?
The IUPAC name of 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one (CID 138970889) is 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one.
What is the SMILES notation for 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one?
The canonical SMILES for 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one is Cc1cccc2c1C(C[Si](C)(C)C)(c1ccccc1[Si](C)(C)C)C(=O)N2C.
What is the InChIKey of 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one?
The InChIKey is PFSYKMFYVGDRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NOSi2/c1-17-12-11-14-19-21(17)23(16-26(3,4)5,22(25)24(19)2)18-13-9-10-15-20(18)27(6,7)8/h9-15H,16H2,1-8H3.
What are the key properties of 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one?
1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one has a molecular weight of 395.70 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one is sourced from PubChem (CID 138970889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).