2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane

C50H66Si2 — CID 10974604

IUPAC2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc(C(C)(C)C)ccc1C#CC#CC#CC#Cc1ccc(C(C)(C)C)cc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C50H66Si2/c1-37(2)51(38(3)4,39(5)6)33-31-45-35-47(49(13,14)15)29-27-43(45)25-23-21-19-20-22-24-26-44-28-30-48(50(16,17)18)36-46(44)32-34-52(40(7)8,41(9)10)42(11)12/h27-30,35-42H,1-18H3
InChIKeyHRVOAKUJDXKVLV-UHFFFAOYSA-N
MW723.25 g/mol
LogP12.83
Rot. Bonds6

About 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane

2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 10974604) has the molecular formula C50H66Si2 and a molecular weight of 723.25 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane
PubChem CID10974604
Molecular FormulaC50H66Si2
Molecular Weight723.25 g/mol
Exact Mass722.47
IUPAC Name2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc(C(C)(C)C)ccc1C#CC#CC#CC#Cc1ccc(C(C)(C)C)cc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C50H66Si2/c1-37(2)51(38(3)4,39(5)6)33-31-45-35-47(49(13,14)15)29-27-43(45)25-23-21-19-20-22-24-26-44-28-30-48(50(16,17)18)36-46(44)32-34-52(40(7)8,41(9)10)42(11)12/h27-30,35-42H,1-18H3
InChIKeyHRVOAKUJDXKVLV-UHFFFAOYSA-N
XLogP12.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.25
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane (CID 10974604) is 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1cc(C(C)(C)C)ccc1C#CC#CC#CC#Cc1ccc(C(C)(C)C)cc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is HRVOAKUJDXKVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H66Si2/c1-37(2)51(38(3)4,39(5)6)33-31-45-35-47(49(13,14)15)29-27-43(45)25-23-21-19-20-22-24-26-44-28-30-48(50(16,17)18)36-46(44)32-34-52(40(7)8,41(9)10)42(11)12/h27-30,35-42H,1-18H3.
What are the key properties of 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 723.25 g/mol, XLogP of 12.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 10974604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).