2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane

C116H126O6Si2 — CID 102073656

IUPAC2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane
SMILESCCCCCCOc1cc(C#Cc2ccc(C#Cc3ccc(C#Cc4cc(OCCCCCC)c(C#Cc5ccc(C#C[Si](C)(C)C)cc5)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)cc1C#Cc1ccc(C#Cc2ccc(C#Cc3cc(OCCCCCC)c(C#Cc4ccc(C#C[Si](C)(C)C)cc4)cc3OCCCCCC)cc2)cc1
InChIInChI=1S/C116H126O6Si2/c1-13-19-25-31-79-117-111-87-106(72-66-98-51-43-94(44-52-98)38-40-96-47-55-100(56-48-96)68-74-108-90-116(122-84-36-30-24-18-6)110(92-114(108)120-82-34-28-22-16-4)76-70-102-59-63-104(64-60-102)78-86-124(10,11)12)112(118-80-32-26-20-14-2)88-105(111)71-65-97-49-41-93(42-50-97)37-39-95-45-53-99(54-46-95)67-73-107-89-115(121-83-35-29-23-17-5)109(91-113(107)119-81-33-27-21-15-3)75-69-101-57-61-103(62-58-101)77-85-123(7,8)9/h41-64,87-92H,13-36,79-84H2,1-12H3
InChIKeyNQGIDBKQYUVPSA-UHFFFAOYSA-N
MW1672.45 g/mol
LogP27.10
Rot. Bonds36

About 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane

2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane (PubChem CID 102073656) has the molecular formula C116H126O6Si2 and a molecular weight of 1672.45 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane
PubChem CID102073656
Molecular FormulaC116H126O6Si2
Molecular Weight1672.45 g/mol
Exact Mass1670.91
IUPAC Name2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane
SMILESCCCCCCOc1cc(C#Cc2ccc(C#Cc3ccc(C#Cc4cc(OCCCCCC)c(C#Cc5ccc(C#C[Si](C)(C)C)cc5)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)cc1C#Cc1ccc(C#Cc2ccc(C#Cc3cc(OCCCCCC)c(C#Cc4ccc(C#C[Si](C)(C)C)cc4)cc3OCCCCCC)cc2)cc1
InChIInChI=1S/C116H126O6Si2/c1-13-19-25-31-79-117-111-87-106(72-66-98-51-43-94(44-52-98)38-40-96-47-55-100(56-48-96)68-74-108-90-116(122-84-36-30-24-18-6)110(92-114(108)120-82-34-28-22-16-4)76-70-102-59-63-104(64-60-102)78-86-124(10,11)12)112(118-80-32-26-20-14-2)88-105(111)71-65-97-49-41-93(42-50-97)37-39-95-45-53-99(54-46-95)67-73-107-89-115(121-83-35-29-23-17-5)109(91-113(107)119-81-33-27-21-15-3)75-69-101-57-61-103(62-58-101)77-85-123(7,8)9/h41-64,87-92H,13-36,79-84H2,1-12H3
InChIKeyNQGIDBKQYUVPSA-UHFFFAOYSA-N
XLogP27.10
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001672.45
LogP ≤ 527.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane with MolForge

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Related Compounds

2-[2,5-didodecoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 25231751
4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]pyridine
CID 139089318
1,4-didodecoxy-2,5-bis[2-(4-ethynylphenyl)ethynyl]benzene
CID 166512403
2-[4-[2-[4-[1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[2-[2,5-dipentoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethyl]phenyl]ethynyl]-2,5-dipentoxyphenyl]ethynyl-trimethylsilane
CID 102108776
1-[2-[4-[2-[4,5-didodecoxy-2-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]-4,5-didodecoxy-2-(2-phenylethynyl)benzene
CID 102522534
4-[2-[4-[2-[4-[2-[4-[2-[4-(dihexylamino)phenyl]ethynyl]phenyl]ethynyl]-2,5-dioctoxyphenyl]ethynyl]phenyl]ethynyl]-N,N-dihexylaniline
CID 87442215
trimethyl-[2-(3,4,5-tridodecoxyphenyl)ethynyl]silane
CID 71375964
2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 11132838
4-[2,5-dihexoxy-4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]-2-methylbut-3-yn-2-ol
CID 102318732
S-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-acetylsulfanylphenyl)ethynyl]-2,5-dihexoxyphenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl] ethanethioate
CID 101235311
bis(4-[2-(4-ethynyl-2,5-dihexoxyphenyl)ethynyl]pyridine);platinum(2+)
CID 177439785
3-[2-[2,5-dioctoxy-4-(2-thiophen-3-ylethynyl)phenyl]ethynyl]thiophene
CID 102478784

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane (CID 102073656) is 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane is CCCCCCOc1cc(C#Cc2ccc(C#Cc3ccc(C#Cc4cc(OCCCCCC)c(C#Cc5ccc(C#C[Si](C)(C)C)cc5)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)cc1C#Cc1ccc(C#Cc2ccc(C#Cc3cc(OCCCCCC)c(C#Cc4ccc(C#C[Si](C)(C)C)cc4)cc3OCCCCCC)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane?
The InChIKey is NQGIDBKQYUVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H126O6Si2/c1-13-19-25-31-79-117-111-87-106(72-66-98-51-43-94(44-52-98)38-40-96-47-55-100(56-48-96)68-74-108-90-116(122-84-36-30-24-18-6)110(92-114(108)120-82-34-28-22-16-4)76-70-102-59-63-104(64-60-102)78-86-124(10,11)12)112(118-80-32-26-20-14-2)88-105(111)71-65-97-49-41-93(42-50-97)37-39-95-45-53-99(54-46-95)67-73-107-89-115(121-83-35-29-23-17-5)109(91-113(107)119-81-33-27-21-15-3)75-69-101-57-61-103(62-58-101)77-85-123(7,8)9/h41-64,87-92H,13-36,79-84H2,1-12H3.
What are the key properties of 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane?
2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane has a molecular weight of 1672.45 g/mol, XLogP of 27.10, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 102073656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).