[1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane

C36H38N2OSi — CID 11238072

IUPAC[1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1c(-c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C36H38N2OSi/c1-36(2,3)40(4,5)39-35-34(30-21-13-15-23-33(30)38(35)25-28-18-10-7-11-19-28)31-26-37(24-27-16-8-6-9-17-27)32-22-14-12-20-29(31)32/h6-23,26H,24-25H2,1-5H3
InChIKeyHRHLVDSWICTCFY-UHFFFAOYSA-N
MW542.80 g/mol
LogP9.74
Rot. Bonds7

About [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane

[1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11238072) has the molecular formula C36H38N2OSi and a molecular weight of 542.80 g/mol. Its IUPAC name is [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11238072
Molecular FormulaC36H38N2OSi
Molecular Weight542.80 g/mol
Exact Mass542.28
IUPAC Name[1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1c(-c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C36H38N2OSi/c1-36(2,3)40(4,5)39-35-34(30-21-13-15-23-33(30)38(35)25-28-18-10-7-11-19-28)31-26-37(24-27-16-8-6-9-17-27)32-22-14-12-20-29(31)32/h6-23,26H,24-25H2,1-5H3
InChIKeyHRHLVDSWICTCFY-UHFFFAOYSA-N
XLogP9.74
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.80
LogP ≤ 59.74
H-Bond Donors ≤ 50
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 [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane (CID 11238072) is [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1c(-c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HRHLVDSWICTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2OSi/c1-36(2,3)40(4,5)39-35-34(30-21-13-15-23-33(30)38(35)25-28-18-10-7-11-19-28)31-26-37(24-27-16-8-6-9-17-27)32-22-14-12-20-29(31)32/h6-23,26H,24-25H2,1-5H3.
What are the key properties of [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane?
[1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 542.80 g/mol, XLogP of 9.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(1-benzylindol-3-yl)indol-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11238072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).