[4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane

C40H44N6Si2 — CID 140693875

About [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane

[4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane (PubChem CID 140693875) has the molecular formula C40H44N6Si2 and a molecular weight of 665.01 g/mol. Its IUPAC name is [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane
• PubChem CID: 140693875
• Molecular Formula: C40H44N6Si2
• Molecular Weight: 665.01 g/mol
• Exact Mass: 664.32
• IUPAC Name: [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane
• SMILES: CC(C)(c1cn2c3cccc([Si](C)(C)C)c3c3ncccc3c2n1)C(C)(C)c1cn2c3cccc([Si](C)(C)C)c3c3ncccc3c2n1
• InChI: InChI=1S/C40H44N6Si2/c1-39(2,31-23-45-27-17-11-19-29(47(5,6)7)33(27)35-25(37(45)43-31)15-13-21-41-35)40(3,4)32-24-46-28-18-12-20-30(48(8,9)10)34(28)36-26(38(46)44-32)16-14-22-42-36/h11-24H,1-10H3
• InChIKey: FLITZHJXCKYIHH-UHFFFAOYSA-N
• XLogP: 8.73
• TPSA: 60.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.01
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane?

The IUPAC name of [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane (CID 140693875) is [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane.

What is the SMILES notation for [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane?

The canonical SMILES for [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane is CC(C)(c1cn2c3cccc([Si](C)(C)C)c3c3ncccc3c2n1)C(C)(C)c1cn2c3cccc([Si](C)(C)C)c3c3ncccc3c2n1.

What is the InChIKey of [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane?

The InChIKey is FLITZHJXCKYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N6Si2/c1-39(2,31-23-45-27-17-11-19-29(47(5,6)7)33(27)35-25(37(45)43-31)15-13-21-41-35)40(3,4)32-24-46-28-18-12-20-30(48(8,9)10)34(28)36-26(38(46)44-32)16-14-22-42-36/h11-24H,1-10H3.

What are the key properties of [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane?

[4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane has a molecular weight of 665.01 g/mol, XLogP of 8.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane is sourced from PubChem (CID 140693875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).