triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane

C106H136O6Si6 — CID 166436664

IUPACtriethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane
SMILESC#Cc1ccc([C@]2(O[Si](CC)(CC)CC)C=C[C@](O[Si](CC)(CC)CC)(c3ccc(-c4ccc(-c5ccc([C@]6(O[Si](CC)(CC)CC)C=C[C@](O[Si](CC)(CC)CC)(c7ccc(-c8ccc(-c9ccc([C@]%10(O[Si](CC)(CC)CC)C=C[C@](O[Si](CC)(CC)CC)(c%11ccc(C#C)cc%11)C=C%10)cc9)cc8)cc7)C=C6)cc5)cc4)cc3)C=C2)cc1
InChIInChI=1S/C106H136O6Si6/c1-21-85-41-61-95(62-42-85)101(107-113(23-3,24-4)25-5)73-77-103(78-74-101,109-115(29-9,30-10)31-11)97-65-53-91(54-66-97)87-45-49-89(50-46-87)93-57-69-99(70-58-93)105(111-117(35-15,36-16)37-17)81-83-106(84-82-105,112-118(38-18,39-19)40-20)100-71-59-94(60-72-100)90-51-47-88(48-52-90)92-55-67-98(68-56-92)104(110-116(32-12,33-13)34-14)79-75-102(76-80-104,108-114(26-6,27-7)28-8)96-63-43-86(22-2)44-64-96/h1-2,41-84H,23-40H2,3-20H3/t101-,102-,103+,104+,105-,106+
InChIKeyWOGOWWLMYRNSGW-ZTSDRLCASA-N
MW1674.76 g/mol
LogP30.10
Rot. Bonds40

About triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane

triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane (PubChem CID 166436664) has the molecular formula C106H136O6Si6 and a molecular weight of 1674.76 g/mol. Its IUPAC name is triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane
PubChem CID166436664
Molecular FormulaC106H136O6Si6
Molecular Weight1674.76 g/mol
Exact Mass1672.90
IUPAC Nametriethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane
SMILESC#Cc1ccc([C@]2(O[Si](CC)(CC)CC)C=C[C@](O[Si](CC)(CC)CC)(c3ccc(-c4ccc(-c5ccc([C@]6(O[Si](CC)(CC)CC)C=C[C@](O[Si](CC)(CC)CC)(c7ccc(-c8ccc(-c9ccc([C@]%10(O[Si](CC)(CC)CC)C=C[C@](O[Si](CC)(CC)CC)(c%11ccc(C#C)cc%11)C=C%10)cc9)cc8)cc7)C=C6)cc5)cc4)cc3)C=C2)cc1
InChIInChI=1S/C106H136O6Si6/c1-21-85-41-61-95(62-42-85)101(107-113(23-3,24-4)25-5)73-77-103(78-74-101,109-115(29-9,30-10)31-11)97-65-53-91(54-66-97)87-45-49-89(50-46-87)93-57-69-99(70-58-93)105(111-117(35-15,36-16)37-17)81-83-106(84-82-105,112-118(38-18,39-19)40-20)100-71-59-94(60-72-100)90-51-47-88(48-52-90)92-55-67-98(68-56-92)104(110-116(32-12,33-13)34-14)79-75-102(76-80-104,108-114(26-6,27-7)28-8)96-63-43-86(22-2)44-64-96/h1-2,41-84H,23-40H2,3-20H3/t101-,102-,103+,104+,105-,106+
InChIKeyWOGOWWLMYRNSGW-ZTSDRLCASA-N
XLogP30.10
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds40
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001674.76
LogP ≤ 530.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane?
The IUPAC name of triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane (CID 166436664) is triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane.
What is the SMILES notation for triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane?
The canonical SMILES for triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane is C#Cc1ccc([C@]2(O[Si](CC)(CC)CC)C=C[C@](O[Si](CC)(CC)CC)(c3ccc(-c4ccc(-c5ccc([C@]6(O[Si](CC)(CC)CC)C=C[C@](O[Si](CC)(CC)CC)(c7ccc(-c8ccc(-c9ccc([C@]%10(O[Si](CC)(CC)CC)C=C[C@](O[Si](CC)(CC)CC)(c%11ccc(C#C)cc%11)C=C%10)cc9)cc8)cc7)C=C6)cc5)cc4)cc3)C=C2)cc1.
What is the InChIKey of triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane?
The InChIKey is WOGOWWLMYRNSGW-ZTSDRLCASA-N. The full InChI is InChI=1S/C106H136O6Si6/c1-21-85-41-61-95(62-42-85)101(107-113(23-3,24-4)25-5)73-77-103(78-74-101,109-115(29-9,30-10)31-11)97-65-53-91(54-66-97)87-45-49-89(50-46-87)93-57-69-99(70-58-93)105(111-117(35-15,36-16)37-17)81-83-106(84-82-105,112-118(38-18,39-19)40-20)100-71-59-94(60-72-100)90-51-47-88(48-52-90)92-55-67-98(68-56-92)104(110-116(32-12,33-13)34-14)79-75-102(76-80-104,108-114(26-6,27-7)28-8)96-63-43-86(22-2)44-64-96/h1-2,41-84H,23-40H2,3-20H3/t101-,102-,103+,104+,105-,106+.
What are the key properties of triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane?
triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane has a molecular weight of 1674.76 g/mol, XLogP of 30.10, 40 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[1-(4-ethynylphenyl)-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethynylphenyl)-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-1,4-bis(triethylsilyloxy)cyclohexa-2,5-dien-1-yl]phenyl]phenyl]phenyl]-4-triethylsilyloxycyclohexa-2,5-dien-1-yl]oxysilane is sourced from PubChem (CID 166436664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).