[3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane

C112H106O4Si4 — CID 71489339

IUPAC[3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc(C(C#Cc2ccc(C#CC(c3ccccc3)(c3cccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)c3)c3cccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)c3)cc2)(c2ccccc2)c2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C112H106O4Si4/c1-107(2,3)117(99-59-27-15-28-60-99,100-61-29-16-30-62-100)113-95-55-43-51-91(83-95)111(89-47-23-13-24-48-89,92-52-44-56-96(84-92)114-118(108(4,5)6,101-63-31-17-32-64-101)102-65-33-18-34-66-102)81-79-87-75-77-88(78-76-87)80-82-112(90-49-25-14-26-50-90,93-53-45-57-97(85-93)115-119(109(7,8)9,103-67-35-19-36-68-103)104-69-37-20-38-70-104)94-54-46-58-98(86-94)116-120(110(10,11)12,105-71-39-21-40-72-105)106-73-41-22-42-74-106/h13-78,83-86H,1-12H3
InChIKeyIYUWCDNADRISBW-UHFFFAOYSA-N
MW1628.42 g/mol
LogP22.21
Rot. Bonds22

About [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane

[3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane (PubChem CID 71489339) has the molecular formula C112H106O4Si4 and a molecular weight of 1628.42 g/mol. Its IUPAC name is [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane
PubChem CID71489339
Molecular FormulaC112H106O4Si4
Molecular Weight1628.42 g/mol
Exact Mass1626.72
IUPAC Name[3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc(C(C#Cc2ccc(C#CC(c3ccccc3)(c3cccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)c3)c3cccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)c3)cc2)(c2ccccc2)c2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C112H106O4Si4/c1-107(2,3)117(99-59-27-15-28-60-99,100-61-29-16-30-62-100)113-95-55-43-51-91(83-95)111(89-47-23-13-24-48-89,92-52-44-56-96(84-92)114-118(108(4,5)6,101-63-31-17-32-64-101)102-65-33-18-34-66-102)81-79-87-75-77-88(78-76-87)80-82-112(90-49-25-14-26-50-90,93-53-45-57-97(85-93)115-119(109(7,8)9,103-67-35-19-36-68-103)104-69-37-20-38-70-104)94-54-46-58-98(86-94)116-120(110(10,11)12,105-71-39-21-40-72-105)106-73-41-22-42-74-106/h13-78,83-86H,1-12H3
InChIKeyIYUWCDNADRISBW-UHFFFAOYSA-N
XLogP22.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001628.42
LogP ≤ 522.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane (CID 71489339) is [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane is CC(C)(C)[Si](Oc1cccc(C(C#Cc2ccc(C#CC(c3ccccc3)(c3cccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)c3)c3cccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)c3)cc2)(c2ccccc2)c2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane?
The InChIKey is IYUWCDNADRISBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H106O4Si4/c1-107(2,3)117(99-59-27-15-28-60-99,100-61-29-16-30-62-100)113-95-55-43-51-91(83-95)111(89-47-23-13-24-48-89,92-52-44-56-96(84-92)114-118(108(4,5)6,101-63-31-17-32-64-101)102-65-33-18-34-66-102)81-79-87-75-77-88(78-76-87)80-82-112(90-49-25-14-26-50-90,93-53-45-57-97(85-93)115-119(109(7,8)9,103-67-35-19-36-68-103)104-69-37-20-38-70-104)94-54-46-58-98(86-94)116-120(110(10,11)12,105-71-39-21-40-72-105)106-73-41-22-42-74-106/h13-78,83-86H,1-12H3.
What are the key properties of [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane?
[3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane has a molecular weight of 1628.42 g/mol, XLogP of 22.21, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 71489339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).