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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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).