2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane

C110H146O2Si2 — CID 101434271

IUPAC2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1cc(OCCCCCCCCCCCCCCCC)c(C#Cc2ccc(-c3c(-c4ccc(-c5ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc5)cc4)cc(-c4ccc(C(C)(C)C)cc4)cc3-c3ccc(-c4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4)cc3)cc2)cc1OCCCCCCCCCCCCCCCC
InChIInChI=1S/C110H146O2Si2/c1-19-22-24-26-28-30-32-34-36-38-40-42-44-46-76-111-107-83-102(108(82-93(107)21-3)112-77-47-45-43-41-39-37-35-33-31-29-27-25-23-20-2)61-54-90-52-59-101(60-53-90)109-105(99-66-62-96(63-67-99)94-55-48-91(49-56-94)74-78-113(84(4)5,85(6)7)86(8)9)80-103(98-70-72-104(73-71-98)110(16,17)18)81-106(109)100-68-64-97(65-69-100)95-57-50-92(51-58-95)75-79-114(87(10)11,88(12)13)89(14)15/h3,48-53,55-60,62-73,80-89H,19-20,22-47,76-77H2,1-2,4-18H3
InChIKeyPSPJMPVKMFTCKJ-UHFFFAOYSA-N
MW1556.55 g/mol
LogP33.23
Rot. Bonds44

About 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane

2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 101434271) has the molecular formula C110H146O2Si2 and a molecular weight of 1556.55 g/mol. Its IUPAC name is 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane
PubChem CID101434271
Molecular FormulaC110H146O2Si2
Molecular Weight1556.55 g/mol
Exact Mass1555.09
IUPAC Name2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1cc(OCCCCCCCCCCCCCCCC)c(C#Cc2ccc(-c3c(-c4ccc(-c5ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc5)cc4)cc(-c4ccc(C(C)(C)C)cc4)cc3-c3ccc(-c4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4)cc3)cc2)cc1OCCCCCCCCCCCCCCCC
InChIInChI=1S/C110H146O2Si2/c1-19-22-24-26-28-30-32-34-36-38-40-42-44-46-76-111-107-83-102(108(82-93(107)21-3)112-77-47-45-43-41-39-37-35-33-31-29-27-25-23-20-2)61-54-90-52-59-101(60-53-90)109-105(99-66-62-96(63-67-99)94-55-48-91(49-56-94)74-78-113(84(4)5,85(6)7)86(8)9)80-103(98-70-72-104(73-71-98)110(16,17)18)81-106(109)100-68-64-97(65-69-100)95-57-50-92(51-58-95)75-79-114(87(10)11,88(12)13)89(14)15/h3,48-53,55-60,62-73,80-89H,19-20,22-47,76-77H2,1-2,4-18H3
InChIKeyPSPJMPVKMFTCKJ-UHFFFAOYSA-N
XLogP33.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds44
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001556.55
LogP ≤ 533.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane (CID 101434271) is 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane is C#Cc1cc(OCCCCCCCCCCCCCCCC)c(C#Cc2ccc(-c3c(-c4ccc(-c5ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc5)cc4)cc(-c4ccc(C(C)(C)C)cc4)cc3-c3ccc(-c4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4)cc3)cc2)cc1OCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is PSPJMPVKMFTCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H146O2Si2/c1-19-22-24-26-28-30-32-34-36-38-40-42-44-46-76-111-107-83-102(108(82-93(107)21-3)112-77-47-45-43-41-39-37-35-33-31-29-27-25-23-20-2)61-54-90-52-59-101(60-53-90)109-105(99-66-62-96(63-67-99)94-55-48-91(49-56-94)74-78-113(84(4)5,85(6)7)86(8)9)80-103(98-70-72-104(73-71-98)110(16,17)18)81-106(109)100-68-64-97(65-69-100)95-57-50-92(51-58-95)75-79-114(87(10)11,88(12)13)89(14)15/h3,48-53,55-60,62-73,80-89H,19-20,22-47,76-77H2,1-2,4-18H3.
What are the key properties of 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane?
2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 1556.55 g/mol, XLogP of 33.23, 44 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(4-tert-butylphenyl)-2-[4-[2-(4-ethynyl-2,5-dihexadecoxyphenyl)ethynyl]phenyl]-3-[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]phenyl]phenyl]phenyl]phenyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 101434271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).