trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane

C28H36N2Si2 — CID 11751469

About trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane

trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane (PubChem CID 11751469) has the molecular formula C28H36N2Si2 and a molecular weight of 456.78 g/mol. Its IUPAC name is trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane
• PubChem CID: 11751469
• Molecular Formula: C28H36N2Si2
• Molecular Weight: 456.78 g/mol
• Exact Mass: 456.24
• IUPAC Name: trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane
• SMILES: CC(C)[Si](C#Cc1ccncc1C#Cc1cnccc1C#C[Si](C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C28H36N2Si2/c1-22(2)32(23(3)4,24(5)6)19-15-26-13-17-30-21-28(26)11-10-27-20-29-16-12-25(27)14-18-31(7,8)9/h12-13,16-17,20-24H,1-9H3
• InChIKey: CGPYTKBMXFXZJK-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.78
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane?

The IUPAC name of trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane (CID 11751469) is trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane.

What is the SMILES notation for trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane?

The canonical SMILES for trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane is CC(C)[Si](C#Cc1ccncc1C#Cc1cnccc1C#C[Si](C)(C)C)(C(C)C)C(C)C.

What is the InChIKey of trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane?

The InChIKey is CGPYTKBMXFXZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2Si2/c1-22(2)32(23(3)4,24(5)6)19-15-26-13-17-30-21-28(26)11-10-27-20-29-16-12-25(27)14-18-31(7,8)9/h12-13,16-17,20-24H,1-9H3.

What are the key properties of trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane?

trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane has a molecular weight of 456.78 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane is sourced from PubChem (CID 11751469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).