[8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane

C56H72Si8 — CID 101023059

IUPAC[8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C5C(=C=C=C=C=C21)C([Si](C)(C)C)=C5[Si](C)(C)C)C([Si](C)(C)C)=C4[Si](C)(C)C)C([Si](C)(C)C)=C3[Si](C)(C)C
InChIInChI=1S/C56H72Si8/c1-57(2,3)49-41-33-25-26-35-43-45(53(61(13,14)15)51(43)59(7,8)9)37-29-30-39-47-48(56(64(22,23)24)55(47)63(19,20)21)40-32-31-38-46-44(52(60(10,11)12)54(46)62(16,17)18)36-28-27-34-42(41)50(49)58(4,5)6/h1-24H3
InChIKeyKQYDUWPXHHTSHQ-UHFFFAOYSA-N
MW969.88 g/mol
LogP15.93
Rot. Bonds8

About [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane

[8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane (PubChem CID 101023059) has the molecular formula C56H72Si8 and a molecular weight of 969.88 g/mol. Its IUPAC name is [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane.

Molecular Properties

Compound Name[8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane
PubChem CID101023059
Molecular FormulaC56H72Si8
Molecular Weight969.88 g/mol
Exact Mass968.38
IUPAC Name[8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C5C(=C=C=C=C=C21)C([Si](C)(C)C)=C5[Si](C)(C)C)C([Si](C)(C)C)=C4[Si](C)(C)C)C([Si](C)(C)C)=C3[Si](C)(C)C
InChIInChI=1S/C56H72Si8/c1-57(2,3)49-41-33-25-26-35-43-45(53(61(13,14)15)51(43)59(7,8)9)37-29-30-39-47-48(56(64(22,23)24)55(47)63(19,20)21)40-32-31-38-46-44(52(60(10,11)12)54(46)62(16,17)18)36-28-27-34-42(41)50(49)58(4,5)6/h1-24H3
InChIKeyKQYDUWPXHHTSHQ-UHFFFAOYSA-N
XLogP15.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.88
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane with MolForge

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Related Compounds

Trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane
CID 101023055
Trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane
CID 101023057
[8,15,16,23,24,31,32-Heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane
CID 101023058
[8,15,16,23,24-Pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane
CID 101023060

Frequently Asked Questions

What is the IUPAC name of [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane?
The IUPAC name of [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane (CID 101023059) is [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane.
What is the SMILES notation for [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane?
The canonical SMILES for [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane is C[Si](C)(C)C1=C([Si](C)(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C5C(=C=C=C=C=C21)C([Si](C)(C)C)=C5[Si](C)(C)C)C([Si](C)(C)C)=C4[Si](C)(C)C)C([Si](C)(C)C)=C3[Si](C)(C)C.
What is the InChIKey of [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane?
The InChIKey is KQYDUWPXHHTSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H72Si8/c1-57(2,3)49-41-33-25-26-35-43-45(53(61(13,14)15)51(43)59(7,8)9)37-29-30-39-47-48(56(64(22,23)24)55(47)63(19,20)21)40-32-31-38-46-44(52(60(10,11)12)54(46)62(16,17)18)36-28-27-34-42(41)50(49)58(4,5)6/h1-24H3.
What are the key properties of [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane?
[8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane has a molecular weight of 969.88 g/mol, XLogP of 15.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [8,15,16,23,24,31,32-heptakis(trimethylsilyl)-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-trimethylsilane is sourced from PubChem (CID 101023059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).