phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone

C24H31NOSi — CID 15271992

IUPACphenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H31NOSi/c1-17(2)27(18(3)4,19(5)6)25-16-22(21-14-10-11-15-23(21)25)24(26)20-12-8-7-9-13-20/h7-19H,1-6H3
InChIKeyDYLYUYXPSLCMLR-UHFFFAOYSA-N
MW377.60 g/mol
LogP6.90
Rot. Bonds6

About phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone

phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone (PubChem CID 15271992) has the molecular formula C24H31NOSi and a molecular weight of 377.60 g/mol. Its IUPAC name is phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone
PubChem CID15271992
Molecular FormulaC24H31NOSi
Molecular Weight377.60 g/mol
Exact Mass377.22
IUPAC Namephenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H31NOSi/c1-17(2)27(18(3)4,19(5)6)25-16-22(21-14-10-11-15-23(21)25)24(26)20-12-8-7-9-13-20/h7-19H,1-6H3
InChIKeyDYLYUYXPSLCMLR-UHFFFAOYSA-N
XLogP6.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tri(propan-2-yl)silylindole-3-carboxamide
CID 173113121
[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone
CID 70526670
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate
CID 10024078
(1-butan-2-ylindol-3-yl)-(4-methylphenyl)methanone
CID 170857237
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
1-propan-2-ylsulfonylindole-3-carboxylic acid
CID 90031230
(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone
CID 170857227
1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one
CID 164961814
(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 170857242
(1-methylindol-3-yl)-quinoxalin-6-ylmethanone
CID 170857089

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone?
The IUPAC name of phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone (CID 15271992) is phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone.
What is the SMILES notation for phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone?
The canonical SMILES for phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone is CC(C)[Si](C(C)C)(C(C)C)n1cc(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone?
The InChIKey is DYLYUYXPSLCMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NOSi/c1-17(2)27(18(3)4,19(5)6)25-16-22(21-14-10-11-15-23(21)25)24(26)20-12-8-7-9-13-20/h7-19H,1-6H3.
What are the key properties of phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone?
phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone has a molecular weight of 377.60 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone is sourced from PubChem (CID 15271992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).