[bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline

C41H56LuN3Si — CID 140878742

About [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline

[bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline (PubChem CID 140878742) has the molecular formula C41H56LuN3Si and a molecular weight of 793.97 g/mol. Its IUPAC name is [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline.

Molecular Properties

• Compound Name: [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline
• PubChem CID: 140878742
• Molecular Formula: C41H56LuN3Si
• Molecular Weight: 793.97 g/mol
• Exact Mass: 793.37
• IUPAC Name: [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline
• SMILES: Cc1ccc([Si]([N-]C(C)(C)C)(c2ccc(C)cc2)C2CC(N3CCCC3)C3C=CC=CC32)cc1.[CH2-]c1ccccc1N(C)C.[CH3-].[Lu+3]
• InChI: InChI=1S/C31H41N2Si.C9H12N.CH3.Lu/c1-23-12-16-25(17-13-23)34(32-31(3,4)5,26-18-14-24(2)15-19-26)30-22-29(33-20-8-9-21-33)27-10-6-7-11-28(27)30;1-8-6-4-5-7-9(8)10(2)3;;/h6-7,10-19,27-30H,8-9,20-22H2,1-5H3;4-7H,1H2,2-3H3;1H3;/q3*-1;+3
• InChIKey: YVWUWHAFEKYRLW-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 20.58 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.97
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline?

The IUPAC name of [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline (CID 140878742) is [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline.

What is the SMILES notation for [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline?

The canonical SMILES for [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline is Cc1ccc([Si]([N-]C(C)(C)C)(c2ccc(C)cc2)C2CC(N3CCCC3)C3C=CC=CC32)cc1.[CH2-]c1ccccc1N(C)C.[CH3-].[Lu+3].

What is the InChIKey of [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline?

The InChIKey is YVWUWHAFEKYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N2Si.C9H12N.CH3.Lu/c1-23-12-16-25(17-13-23)34(32-31(3,4)5,26-18-14-24(2)15-19-26)30-22-29(33-20-8-9-21-33)27-10-6-7-11-28(27)30;1-8-6-4-5-7-9(8)10(2)3;;/h6-7,10-19,27-30H,8-9,20-22H2,1-5H3;4-7H,1H2,2-3H3;1H3;/q3*-1;+3.

What are the key properties of [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline?

[bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline has a molecular weight of 793.97 g/mol, XLogP of 8.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [bis(4-methylphenyl)-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-tert-butylazanide;carbanide;lutetium(3+);2-methanidyl-N,N-dimethylaniline is sourced from PubChem (CID 140878742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).