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

C98H134Si4 — CID 102208638

IUPAC2-[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
SMILESCC(C)[Si](C#Cc1cc(C(C)(C)C)ccc1C#Cc1cc(C#Cc2ccc(C(C)(C)C)cc2C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#Cc2ccc(C(C)(C)C)cc2C#C[Si](C(C)C)(C(C)C)C(C)C)cc1C#Cc1ccc(C(C)(C)C)cc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C98H134Si4/c1-67(2)99(68(3)4,69(5)6)57-53-87-63-91(95(25,26)27)49-45-79(87)37-41-83-61-85(43-39-81-47-51-93(97(31,32)33)65-89(81)55-59-101(73(13)14,74(15)16)75(17)18)86(44-40-82-48-52-94(98(34,35)36)66-90(82)56-60-102(76(19)20,77(21)22)78(23)24)62-84(83)42-38-80-46-50-92(96(28,29)30)64-88(80)54-58-100(70(7)8,71(9)10)72(11)12/h45-52,61-78H,1-36H3
InChIKeyFTXCJLCSTOZLRZ-UHFFFAOYSA-N
MW1424.49 g/mol
LogP26.75
Rot. Bonds12

About 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

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 (PubChem CID 102208638) has the molecular formula C98H134Si4 and a molecular weight of 1424.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID102208638
Molecular FormulaC98H134Si4
Molecular Weight1424.49 g/mol
Exact Mass1422.96
IUPAC Name2-[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
SMILESCC(C)[Si](C#Cc1cc(C(C)(C)C)ccc1C#Cc1cc(C#Cc2ccc(C(C)(C)C)cc2C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#Cc2ccc(C(C)(C)C)cc2C#C[Si](C(C)C)(C(C)C)C(C)C)cc1C#Cc1ccc(C(C)(C)C)cc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C98H134Si4/c1-67(2)99(68(3)4,69(5)6)57-53-87-63-91(95(25,26)27)49-45-79(87)37-41-83-61-85(43-39-81-47-51-93(97(31,32)33)65-89(81)55-59-101(73(13)14,74(15)16)75(17)18)86(44-40-82-48-52-94(98(34,35)36)66-90(82)56-60-102(76(19)20,77(21)22)78(23)24)62-84(83)42-38-80-46-50-92(96(28,29)30)64-88(80)54-58-100(70(7)8,71(9)10)72(11)12/h45-52,61-78H,1-36H3
InChIKeyFTXCJLCSTOZLRZ-UHFFFAOYSA-N
XLogP26.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001424.49
LogP ≤ 526.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 132506214
[5-(3-tert-butylphenyl)-2-[2-tri(propan-2-yl)silylethynyl]phenyl]boronic acid
CID 138979325
tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]silane
CID 102165434
tri(propan-2-yl)-[2-[5-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]ethynyl]silane
CID 169050439
2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
CID 11099840
tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
CID 56958696
trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane
CID 11751469
4-tert-butyl-2-methyl-1-prop-1-ynylbenzene
CID 173394567
tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
CID 56958857
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
2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[Si](C#Cc1cc(C(C)(C)C)ccc1C#Cc1cc(C#Cc2ccc(C(C)(C)C)cc2C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#Cc2ccc(C(C)(C)C)cc2C#C[Si](C(C)C)(C(C)C)C(C)C)cc1C#Cc1ccc(C(C)(C)C)cc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 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?
The InChIKey is FTXCJLCSTOZLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H134Si4/c1-67(2)99(68(3)4,69(5)6)57-53-87-63-91(95(25,26)27)49-45-79(87)37-41-83-61-85(43-39-81-47-51-93(97(31,32)33)65-89(81)55-59-101(73(13)14,74(15)16)75(17)18)86(44-40-82-48-52-94(98(34,35)36)66-90(82)56-60-102(76(19)20,77(21)22)78(23)24)62-84(83)42-38-80-46-50-92(96(28,29)30)64-88(80)54-58-100(70(7)8,71(9)10)72(11)12/h45-52,61-78H,1-36H3.
What are the key properties of 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?
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 has a molecular weight of 1424.49 g/mol, XLogP of 26.75, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102208638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).