1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene

C24H32BNSi2 — CID 12011470

IUPAC1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene
SMILESC[Si](C)(C)N(B(C1C=Cc2ccccc21)C1C=Cc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C24H32BNSi2/c1-27(2,3)26(28(4,5)6)25(23-17-15-19-11-7-9-13-21(19)23)24-18-16-20-12-8-10-14-22(20)24/h7-18,23-24H,1-6H3
InChIKeyBXWPFRWPJXHVQO-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.65
Rot. Bonds5

About 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene

1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene (PubChem CID 12011470) has the molecular formula C24H32BNSi2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene.

Molecular Properties

Compound Name1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene
PubChem CID12011470
Molecular FormulaC24H32BNSi2
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene
SMILESC[Si](C)(C)N(B(C1C=Cc2ccccc21)C1C=Cc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C24H32BNSi2/c1-27(2,3)26(28(4,5)6)25(23-17-15-19-11-7-9-13-21(19)23)24-18-16-20-12-8-10-14-22(20)24/h7-18,23-24H,1-6H3
InChIKeyBXWPFRWPJXHVQO-UHFFFAOYSA-N
XLogP6.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene?
The IUPAC name of 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene (CID 12011470) is 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene.
What is the SMILES notation for 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene?
The canonical SMILES for 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene is C[Si](C)(C)N(B(C1C=Cc2ccccc21)C1C=Cc2ccccc21)[Si](C)(C)C.
What is the InChIKey of 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene?
The InChIKey is BXWPFRWPJXHVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BNSi2/c1-27(2,3)26(28(4,5)6)25(23-17-15-19-11-7-9-13-21(19)23)24-18-16-20-12-8-10-14-22(20)24/h7-18,23-24H,1-6H3.
What are the key properties of 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene?
1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene has a molecular weight of 401.51 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene is sourced from PubChem (CID 12011470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).