tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane

C62H80N2Si2 — CID 58937474

IUPACtri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane
SMILESCCC/C(C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1)=C(\C#Cc1ccc(C#C/C(CCC)=C(/C#Cc2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)CCC)nn1)CCC
InChIInChI=1S/C62H80N2Si2/c1-17-21-57(35-33-53-25-29-55(30-26-53)43-45-65(47(5)6,48(7)8)49(9)10)59(23-19-3)37-39-61-41-42-62(64-63-61)40-38-60(24-20-4)58(22-18-2)36-34-54-27-31-56(32-28-54)44-46-66(50(11)12,51(13)14)52(15)16/h25-32,41-42,47-52H,17-24H2,1-16H3/b59-57+,60-58+
InChIKeyHSRXVCSWYJBWGS-YGZNCWGHSA-N
MW909.51 g/mol
LogP16.22
Rot. Bonds14

About tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane

tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane (PubChem CID 58937474) has the molecular formula C62H80N2Si2 and a molecular weight of 909.51 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane
PubChem CID58937474
Molecular FormulaC62H80N2Si2
Molecular Weight909.51 g/mol
Exact Mass908.59
IUPAC Nametri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane
SMILESCCC/C(C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1)=C(\C#Cc1ccc(C#C/C(CCC)=C(/C#Cc2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)CCC)nn1)CCC
InChIInChI=1S/C62H80N2Si2/c1-17-21-57(35-33-53-25-29-55(30-26-53)43-45-65(47(5)6,48(7)8)49(9)10)59(23-19-3)37-39-61-41-42-62(64-63-61)40-38-60(24-20-4)58(22-18-2)36-34-54-27-31-56(32-28-54)44-46-66(50(11)12,51(13)14)52(15)16/h25-32,41-42,47-52H,17-24H2,1-16H3/b59-57+,60-58+
InChIKeyHSRXVCSWYJBWGS-YGZNCWGHSA-N
XLogP16.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.51
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane (CID 58937474) is tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane is CCC/C(C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1)=C(\C#Cc1ccc(C#C/C(CCC)=C(/C#Cc2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)CCC)nn1)CCC.
What is the InChIKey of tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane?
The InChIKey is HSRXVCSWYJBWGS-YGZNCWGHSA-N. The full InChI is InChI=1S/C62H80N2Si2/c1-17-21-57(35-33-53-25-29-55(30-26-53)43-45-65(47(5)6,48(7)8)49(9)10)59(23-19-3)37-39-61-41-42-62(64-63-61)40-38-60(24-20-4)58(22-18-2)36-34-54-27-31-56(32-28-54)44-46-66(50(11)12,51(13)14)52(15)16/h25-32,41-42,47-52H,17-24H2,1-16H3/b59-57+,60-58+.
What are the key properties of tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane?
tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane has a molecular weight of 909.51 g/mol, XLogP of 16.22, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[4-[(E)-3-propyl-4-[2-[6-[(E)-3-propyl-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]hept-3-en-1-ynyl]pyridazin-3-yl]ethynyl]hept-3-en-1-ynyl]phenyl]ethynyl]silane is sourced from PubChem (CID 58937474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).