tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane

C58H64N14Si2 — CID 102517737

About tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane

tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane (PubChem CID 102517737) has the molecular formula C58H64N14Si2 and a molecular weight of 1013.42 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane
• PubChem CID: 102517737
• Molecular Formula: C58H64N14Si2
• Molecular Weight: 1013.42 g/mol
• Exact Mass: 1012.50
• IUPAC Name: tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane
• SMILES: CC(C)[Si](C#Cc1ccc(-c2cn(-c3ccc(-n4cc(-c5ccc(-c6cn(-c7ccc(-n8cc(-c9ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cn9)nn8)cc7)nn6)cc5)nn4)cc3)nn2)nc1)(C(C)C)C(C)C
• InChI: InChI=1S/C58H64N14Si2/c1-39(2)73(40(3)4,41(5)6)31-29-45-13-27-53(59-33-45)57-37-71(67-63-57)51-23-19-49(20-24-51)69-35-55(61-65-69)47-15-17-48(18-16-47)56-36-70(66-62-56)50-21-25-52(26-22-50)72-38-58(64-68-72)54-28-14-46(34-60-54)30-32-74(42(7)8,43(9)10)44(11)12/h13-28,33-44H,1-12H3
• InChIKey: MGMCVUHTNPEHIO-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 148.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1013.42
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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 tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane?

The IUPAC name of tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane (CID 102517737) is tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane.

What is the SMILES notation for tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane?

The canonical SMILES for tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane is CC(C)[Si](C#Cc1ccc(-c2cn(-c3ccc(-n4cc(-c5ccc(-c6cn(-c7ccc(-n8cc(-c9ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cn9)nn8)cc7)nn6)cc5)nn4)cc3)nn2)nc1)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane?

The InChIKey is MGMCVUHTNPEHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64N14Si2/c1-39(2)73(40(3)4,41(5)6)31-29-45-13-27-53(59-33-45)57-37-71(67-63-57)51-23-19-49(20-24-51)69-35-55(61-65-69)47-15-17-48(18-16-47)56-36-70(66-62-56)50-21-25-52(26-22-50)72-38-58(64-68-72)54-28-14-46(34-60-54)30-32-74(42(7)8,43(9)10)44(11)12/h13-28,33-44H,1-12H3.

What are the key properties of tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane?

tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane has a molecular weight of 1013.42 g/mol, XLogP of 12.61, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[2-[6-[1-[4-[4-[4-[1-[4-[4-[5-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]triazol-4-yl]-3-pyridinyl]ethynyl]silane is sourced from PubChem (CID 102517737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).