1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one

C30H29NOSi — CID 122403973

IUPAC1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one
SMILESCc1ccc2c(c1)C(C)(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N2C
InChIInChI=1S/C30H29NOSi/c1-23-19-20-28-27(21-23)30(2,29(32)31(28)3)22-33(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-21H,22H2,1-3H3
InChIKeySJUSDUXDVGUNGN-UHFFFAOYSA-N
MW447.65 g/mol
LogP4.40
Rot. Bonds5

About 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one

1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one (PubChem CID 122403973) has the molecular formula C30H29NOSi and a molecular weight of 447.65 g/mol. Its IUPAC name is 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one.

Molecular Properties

Compound Name1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one
PubChem CID122403973
Molecular FormulaC30H29NOSi
Molecular Weight447.65 g/mol
Exact Mass447.20
IUPAC Name1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one
SMILESCc1ccc2c(c1)C(C)(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N2C
InChIInChI=1S/C30H29NOSi/c1-23-19-20-28-27(21-23)30(2,29(32)31(28)3)22-33(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-21H,22H2,1-3H3
InChIKeySJUSDUXDVGUNGN-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
ethyl 1,3,5-trimethyl-2-oxoindole-3-carboxylate
CID 56945773
2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
CID 102395058
10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine
CID 166909608
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
4-amino-1,4,6-trimethylquinoline-2,3-dione
CID 70795785
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
3,3,5-trimethyl-1-propylindol-2-one
CID 69481776
N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide
CID 57380401

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one?
The IUPAC name of 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one (CID 122403973) is 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one.
What is the SMILES notation for 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one?
The canonical SMILES for 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one is Cc1ccc2c(c1)C(C)(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N2C.
What is the InChIKey of 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one?
The InChIKey is SJUSDUXDVGUNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NOSi/c1-23-19-20-28-27(21-23)30(2,29(32)31(28)3)22-33(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-21H,22H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one?
1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one has a molecular weight of 447.65 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one is sourced from PubChem (CID 122403973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).