2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane

C115H137ISi — CID 11715152

IUPAC2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane
SMILESCC(C)c1cc(C#Cc2c(C(C)C)cc(C#Cc3c(C(C)C)cc(C#Cc4c(C(C)C)cc(C#Cc5c(C(C)C)cc(C#Cc6c(C(C)C)cc(C#Cc7c(C(C)C)cc(C#Cc8c(C(C)C)cc(C#C[Si](C)(C)C)cc8C(C)C)cc7C(C)C)cc6C(C)C)cc5C(C)C)cc4C(C)C)cc3C(C)C)cc2C(C)C)cc(C(C)C)c1I
InChIInChI=1S/C115H137ISi/c1-68(2)99-52-85(37-44-94-103(72(9)10)56-87(57-104(94)73(11)12)39-46-96-107(76(17)18)60-89(61-108(96)77(19)20)41-48-98-111(80(25)26)64-91(50-51-117(33,34)35)65-112(98)81(27)28)53-100(69(3)4)92(99)43-36-84-54-101(70(5)6)93(102(55-84)71(7)8)45-38-86-58-105(74(13)14)95(106(59-86)75(15)16)47-40-88-62-109(78(21)22)97(110(63-88)79(23)24)49-42-90-66-113(82(29)30)115(116)114(67-90)83(31)32/h52-83H,1-35H3
InChIKeyLGRUARLYWDKKQD-UHFFFAOYSA-N
MW1674.35 g/mol
LogP31.29
Rot. Bonds16

About 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane

2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane (PubChem CID 11715152) has the molecular formula C115H137ISi and a molecular weight of 1674.35 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane
PubChem CID11715152
Molecular FormulaC115H137ISi
Molecular Weight1674.35 g/mol
Exact Mass1672.95
IUPAC Name2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane
SMILESCC(C)c1cc(C#Cc2c(C(C)C)cc(C#Cc3c(C(C)C)cc(C#Cc4c(C(C)C)cc(C#Cc5c(C(C)C)cc(C#Cc6c(C(C)C)cc(C#Cc7c(C(C)C)cc(C#Cc8c(C(C)C)cc(C#C[Si](C)(C)C)cc8C(C)C)cc7C(C)C)cc6C(C)C)cc5C(C)C)cc4C(C)C)cc3C(C)C)cc2C(C)C)cc(C(C)C)c1I
InChIInChI=1S/C115H137ISi/c1-68(2)99-52-85(37-44-94-103(72(9)10)56-87(57-104(94)73(11)12)39-46-96-107(76(17)18)60-89(61-108(96)77(19)20)41-48-98-111(80(25)26)64-91(50-51-117(33,34)35)65-112(98)81(27)28)53-100(69(3)4)92(99)43-36-84-54-101(70(5)6)93(102(55-84)71(7)8)45-38-86-58-105(74(13)14)95(106(59-86)75(15)16)47-40-88-62-109(78(21)22)97(110(63-88)79(23)24)49-42-90-66-113(82(29)30)115(116)114(67-90)83(31)32/h52-83H,1-35H3
InChIKeyLGRUARLYWDKKQD-UHFFFAOYSA-N
XLogP31.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001674.35
LogP ≤ 531.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane 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-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane (CID 11715152) is 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane is CC(C)c1cc(C#Cc2c(C(C)C)cc(C#Cc3c(C(C)C)cc(C#Cc4c(C(C)C)cc(C#Cc5c(C(C)C)cc(C#Cc6c(C(C)C)cc(C#Cc7c(C(C)C)cc(C#Cc8c(C(C)C)cc(C#C[Si](C)(C)C)cc8C(C)C)cc7C(C)C)cc6C(C)C)cc5C(C)C)cc4C(C)C)cc3C(C)C)cc2C(C)C)cc(C(C)C)c1I.
What is the InChIKey of 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane?
The InChIKey is LGRUARLYWDKKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H137ISi/c1-68(2)99-52-85(37-44-94-103(72(9)10)56-87(57-104(94)73(11)12)39-46-96-107(76(17)18)60-89(61-108(96)77(19)20)41-48-98-111(80(25)26)64-91(50-51-117(33,34)35)65-112(98)81(27)28)53-100(69(3)4)92(99)43-36-84-54-101(70(5)6)93(102(55-84)71(7)8)45-38-86-58-105(74(13)14)95(106(59-86)75(15)16)47-40-88-62-109(78(21)22)97(110(63-88)79(23)24)49-42-90-66-113(82(29)30)115(116)114(67-90)83(31)32/h52-83H,1-35H3.
What are the key properties of 2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane?
2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane has a molecular weight of 1674.35 g/mol, XLogP of 31.29, 16 rotatable bonds, 0 hydrogen bond donors, and 0 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-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 11715152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).