4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol

C32H35NO2Si — CID 101460200

IUPAC4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol
SMILESCc1c(O[Si](C)(C)C(C)(C)C)c2cc(-c3ccc(O)c4ccccc34)ccc2n1Cc1ccccc1
InChIInChI=1S/C32H35NO2Si/c1-22-31(35-36(5,6)32(2,3)4)28-20-24(25-17-19-30(34)27-15-11-10-14-26(25)27)16-18-29(28)33(22)21-23-12-8-7-9-13-23/h7-20,34H,21H2,1-6H3
InChIKeyBTEOACRVDVZTIX-UHFFFAOYSA-N
MW493.72 g/mol
LogP8.91
Rot. Bonds5

About 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol

4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol (PubChem CID 101460200) has the molecular formula C32H35NO2Si and a molecular weight of 493.72 g/mol. Its IUPAC name is 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol
PubChem CID101460200
Molecular FormulaC32H35NO2Si
Molecular Weight493.72 g/mol
Exact Mass493.24
IUPAC Name4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol
SMILESCc1c(O[Si](C)(C)C(C)(C)C)c2cc(-c3ccc(O)c4ccccc34)ccc2n1Cc1ccccc1
InChIInChI=1S/C32H35NO2Si/c1-22-31(35-36(5,6)32(2,3)4)28-20-24(25-17-19-30(34)27-15-11-10-14-26(25)27)16-18-29(28)33(22)21-23-12-8-7-9-13-23/h7-20,34H,21H2,1-6H3
InChIKeyBTEOACRVDVZTIX-UHFFFAOYSA-N
XLogP8.91
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.72
LogP ≤ 58.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol?
The IUPAC name of 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol (CID 101460200) is 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol.
What is the SMILES notation for 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol?
The canonical SMILES for 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol is Cc1c(O[Si](C)(C)C(C)(C)C)c2cc(-c3ccc(O)c4ccccc34)ccc2n1Cc1ccccc1.
What is the InChIKey of 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol?
The InChIKey is BTEOACRVDVZTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO2Si/c1-22-31(35-36(5,6)32(2,3)4)28-20-24(25-17-19-30(34)27-15-11-10-14-26(25)27)16-18-29(28)33(22)21-23-12-8-7-9-13-23/h7-20,34H,21H2,1-6H3.
What are the key properties of 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol?
4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol has a molecular weight of 493.72 g/mol, XLogP of 8.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylindol-5-yl]naphthalen-1-ol is sourced from PubChem (CID 101460200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).