2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane

C20H28BrNSi — CID 71545113

IUPAC2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc2ccc(Br)cc2n1C)(C(C)C)C(C)C
InChIInChI=1S/C20H28BrNSi/c1-14(2)23(15(3)4,16(5)6)11-10-19-12-17-8-9-18(21)13-20(17)22(19)7/h8-9,12-16H,1-7H3
InChIKeyTZQRWBJOVLWRLM-UHFFFAOYSA-N
MW390.44 g/mol
LogP6.51
Rot. Bonds3

About 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane

2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 71545113) has the molecular formula C20H28BrNSi and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID71545113
Molecular FormulaC20H28BrNSi
Molecular Weight390.44 g/mol
Exact Mass389.12
IUPAC Name2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc2ccc(Br)cc2n1C)(C(C)C)C(C)C
InChIInChI=1S/C20H28BrNSi/c1-14(2)23(15(3)4,16(5)6)11-10-19-12-17-8-9-18(21)13-20(17)22(19)7/h8-9,12-16H,1-7H3
InChIKeyTZQRWBJOVLWRLM-UHFFFAOYSA-N
XLogP6.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane (CID 71545113) is 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1cc2ccc(Br)cc2n1C)(C(C)C)C(C)C.
What is the InChIKey of 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is TZQRWBJOVLWRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrNSi/c1-14(2)23(15(3)4,16(5)6)11-10-19-12-17-8-9-18(21)13-20(17)22(19)7/h8-9,12-16H,1-7H3.
What are the key properties of 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane?
2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 390.44 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 71545113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).