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

C122H138Si2 — CID 132506214

IUPAC2-[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
SMILESCC(C)[Si](C#Cc1c2ccc(C(C)(C)C)cc2c(C#CC#Cc2c3ccc(C(C)(C)C)cc3c(C#CC#Cc3c4ccc(C(C)(C)C)cc4c(C#CC#Cc4c5ccc(C(C)(C)C)cc5c(C#C[Si](C(C)C)(C(C)C)C(C)C)c5ccc(C(C)(C)C)cc45)c4ccc(C(C)(C)C)cc34)c3ccc(C(C)(C)C)cc23)c2ccc(C(C)(C)C)cc12)(C(C)C)C(C)C
InChIInChI=1S/C122H138Si2/c1-77(2)123(78(3)4,79(5)6)67-65-105-103-63-55-87(119(25,26)27)73-111(103)95(101-61-53-89(75-113(101)105)121(31,32)33)47-41-39-45-93-99-59-51-83(115(13,14)15)69-107(99)91(97-57-49-85(71-109(93)97)117(19,20)21)43-37-38-44-92-98-58-50-86(118(22,23)24)72-110(98)94(100-60-52-84(70-108(92)100)116(16,17)18)46-40-42-48-96-102-62-54-90(122(34,35)36)76-114(102)106(66-68-124(80(7)8,81(9)10)82(11)12)104-64-56-88(74-112(96)104)120(28,29)30/h49-64,69-82H,1-36H3
InChIKeyOKIFGXFIOIVQIQ-UHFFFAOYSA-N
MW1660.62 g/mol
LogP32.64
Rot. Bonds6

About 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

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 (PubChem CID 132506214) has the molecular formula C122H138Si2 and a molecular weight of 1660.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID132506214
Molecular FormulaC122H138Si2
Molecular Weight1660.62 g/mol
Exact Mass1659.03
IUPAC Name2-[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
SMILESCC(C)[Si](C#Cc1c2ccc(C(C)(C)C)cc2c(C#CC#Cc2c3ccc(C(C)(C)C)cc3c(C#CC#Cc3c4ccc(C(C)(C)C)cc4c(C#CC#Cc4c5ccc(C(C)(C)C)cc5c(C#C[Si](C(C)C)(C(C)C)C(C)C)c5ccc(C(C)(C)C)cc45)c4ccc(C(C)(C)C)cc34)c3ccc(C(C)(C)C)cc23)c2ccc(C(C)(C)C)cc12)(C(C)C)C(C)C
InChIInChI=1S/C122H138Si2/c1-77(2)123(78(3)4,79(5)6)67-65-105-103-63-55-87(119(25,26)27)73-111(103)95(101-61-53-89(75-113(101)105)121(31,32)33)47-41-39-45-93-99-59-51-83(115(13,14)15)69-107(99)91(97-57-49-85(71-109(93)97)117(19,20)21)43-37-38-44-92-98-58-50-86(118(22,23)24)72-110(98)94(100-60-52-84(70-108(92)100)116(16,17)18)46-40-42-48-96-102-62-54-90(122(34,35)36)76-114(102)106(66-68-124(80(7)8,81(9)10)82(11)12)104-64-56-88(74-112(96)104)120(28,29)30/h49-64,69-82H,1-36H3
InChIKeyOKIFGXFIOIVQIQ-UHFFFAOYSA-N
XLogP32.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001660.62
LogP ≤ 532.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-[2,6-bis(5-methylthiophen-2-yl)-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 87430763
tri(propan-2-yl)-[2-[22-[2-tri(propan-2-yl)silylethynyl]-7-octacyclo[21.7.1.18,12.02,21.04,19.06,17.027,31.016,32]dotriaconta-1(30),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27(31),28-hexadecaenyl]ethynyl]silane
CID 102345338
2-pentacen-6-ylethynyl-tri(propan-2-yl)silane
CID 141495098
2-(13-ethynylpentacen-6-yl)ethynyl-tri(propan-2-yl)silane
CID 102307090
tri(propan-2-yl)-[2-[2-[2-tri(propan-2-yl)silylethynyl]-7,19-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl]ethynyl]silane
CID 171612357
1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine
CID 73211982
tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane
CID 140861271
tri(propan-2-yl)-[2-[(2Z,26Z)-20,33,44-tris[2-tri(propan-2-yl)silylethynyl]-9-undecacyclo[26.20.0.04,25.06,23.08,21.010,19.012,17.030,47.032,45.034,43.036,41]octatetraconta-1(48),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46-tetracosaenyl]ethynyl]silane
CID 132506304
2-[2,6-bis(5-naphthalen-2-ylthiophen-2-yl)-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 102141647
2-[2,6-bis(5-hexylthiophen-2-yl)-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 87430751
12-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]dodeca-1,3,5,7,9,11-hexaynyl-tri(propan-2-yl)silane
CID 146681851

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[Si](C#Cc1c2ccc(C(C)(C)C)cc2c(C#CC#Cc2c3ccc(C(C)(C)C)cc3c(C#CC#Cc3c4ccc(C(C)(C)C)cc4c(C#CC#Cc4c5ccc(C(C)(C)C)cc5c(C#C[Si](C(C)C)(C(C)C)C(C)C)c5ccc(C(C)(C)C)cc45)c4ccc(C(C)(C)C)cc34)c3ccc(C(C)(C)C)cc23)c2ccc(C(C)(C)C)cc12)(C(C)C)C(C)C.
What is the InChIKey of 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?
The InChIKey is OKIFGXFIOIVQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H138Si2/c1-77(2)123(78(3)4,79(5)6)67-65-105-103-63-55-87(119(25,26)27)73-111(103)95(101-61-53-89(75-113(101)105)121(31,32)33)47-41-39-45-93-99-59-51-83(115(13,14)15)69-107(99)91(97-57-49-85(71-109(93)97)117(19,20)21)43-37-38-44-92-98-58-50-86(118(22,23)24)72-110(98)94(100-60-52-84(70-108(92)100)116(16,17)18)46-40-42-48-96-102-62-54-90(122(34,35)36)76-114(102)106(66-68-124(80(7)8,81(9)10)82(11)12)104-64-56-88(74-112(96)104)120(28,29)30/h49-64,69-82H,1-36H3.
What are the key properties of 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?
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 has a molecular weight of 1660.62 g/mol, XLogP of 32.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 132506214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).