2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane

C121H146S8Si — CID 102298905

IUPAC2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3cc(CSCc4cc(CSCc5cc(CSCc6cc(CSCc7ccccc7)cc(C(C)(C)C)c6)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)cc(CSCc4cc(CSCc5cc(CSCc6cc(CSCc7ccccc7)cc(C(C)(C)C)c6)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)c3)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C121H146S8Si/c1-86(2)130(87(3)4,88(5)6)48-47-92-43-41-90(42-44-92)36-35-89-37-39-91(40-38-89)45-46-95-49-96(72-124-76-100-54-104(64-112(60-100)118(13,14)15)80-128-84-108-56-106(66-114(68-108)120(19,20)21)82-126-78-102-52-98(58-110(62-102)116(7,8)9)74-122-70-93-31-27-25-28-32-93)51-97(50-95)73-125-77-101-55-105(65-113(61-101)119(16,17)18)81-129-85-109-57-107(67-115(69-109)121(22,23)24)83-127-79-103-53-99(59-111(63-103)117(10,11)12)75-123-71-94-33-29-26-30-34-94/h25-34,37-44,49-69,86-88H,70-85H2,1-24H3
InChIKeyLLPBDBIWQGVQIX-UHFFFAOYSA-N
MW1885.12 g/mol
LogP35.31
Rot. Bonds35

About 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane

2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 102298905) has the molecular formula C121H146S8Si and a molecular weight of 1885.12 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
PubChem CID102298905
Molecular FormulaC121H146S8Si
Molecular Weight1885.12 g/mol
Exact Mass1882.90
IUPAC Name2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3cc(CSCc4cc(CSCc5cc(CSCc6cc(CSCc7ccccc7)cc(C(C)(C)C)c6)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)cc(CSCc4cc(CSCc5cc(CSCc6cc(CSCc7ccccc7)cc(C(C)(C)C)c6)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)c3)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C121H146S8Si/c1-86(2)130(87(3)4,88(5)6)48-47-92-43-41-90(42-44-92)36-35-89-37-39-91(40-38-89)45-46-95-49-96(72-124-76-100-54-104(64-112(60-100)118(13,14)15)80-128-84-108-56-106(66-114(68-108)120(19,20)21)82-126-78-102-52-98(58-110(62-102)116(7,8)9)74-122-70-93-31-27-25-28-32-93)51-97(50-95)73-125-77-101-55-105(65-113(61-101)119(16,17)18)81-129-85-109-57-107(67-115(69-109)121(22,23)24)83-127-79-103-53-99(59-111(63-103)117(10,11)12)75-123-71-94-33-29-26-30-34-94/h25-34,37-44,49-69,86-88H,70-85H2,1-24H3
InChIKeyLLPBDBIWQGVQIX-UHFFFAOYSA-N
XLogP35.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds35
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001885.12
LogP ≤ 535.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane with MolForge

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Related Compounds

tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473
N-benzyl-4-[2-tri(propan-2-yl)silylethynyl]aniline
CID 140776534
tri(propan-2-yl)-[2-[4-[2-[4-[2-[3-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 102510770
1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene
CID 102475228
2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
CID 11099840
trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 15312832
4-[2-tri(propan-2-yl)silylethynyl]benzoic acid
CID 10851921
(2S)-2,4-bis[3-tert-butyl-5-[2-tri(propan-2-yl)silylethynyl]phenyl]but-3-yn-2-ol
CID 11227790
N,N-dimethyl-4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]aniline
CID 102353310
3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol
CID 101217736
2-[5-tert-butyl-2-[2-[2,4,5-tris[2-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 102208638
2-methyl-1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]propane-1,2-diol
CID 90436166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane (CID 102298905) is 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3cc(CSCc4cc(CSCc5cc(CSCc6cc(CSCc7ccccc7)cc(C(C)(C)C)c6)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)cc(CSCc4cc(CSCc5cc(CSCc6cc(CSCc7ccccc7)cc(C(C)(C)C)c6)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)c3)cc2)cc1)(C(C)C)C(C)C.
What is the InChIKey of 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is LLPBDBIWQGVQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H146S8Si/c1-86(2)130(87(3)4,88(5)6)48-47-92-43-41-90(42-44-92)36-35-89-37-39-91(40-38-89)45-46-95-49-96(72-124-76-100-54-104(64-112(60-100)118(13,14)15)80-128-84-108-56-106(66-114(68-108)120(19,20)21)82-126-78-102-52-98(58-110(62-102)116(7,8)9)74-122-70-93-31-27-25-28-32-93)51-97(50-95)73-125-77-101-55-105(65-113(61-101)119(16,17)18)81-129-85-109-57-107(67-115(69-109)121(22,23)24)83-127-79-103-53-99(59-111(63-103)117(10,11)12)75-123-71-94-33-29-26-30-34-94/h25-34,37-44,49-69,86-88H,70-85H2,1-24H3.
What are the key properties of 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 1885.12 g/mol, XLogP of 35.31, 35 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102298905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).