(2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene

C56H68Si4 — CID 11506103

IUPAC(2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene
SMILESC[Si]1(C)Cc2ccc(cc2)/C=C\c2ccc(cc2)C[Si](C)(C)Cc2ccc(cc2)C[Si](C)(C)Cc2ccc(cc2)/C=C/c2ccc(cc2)C[Si](C)(C)Cc2ccc(cc2)C1
InChIInChI=1S/C56H68Si4/c1-57(2)37-49-21-13-45(14-22-49)9-10-46-15-23-51(24-16-46)39-59(5,6)43-55-33-35-56(36-34-55)44-60(7,8)40-52-27-19-48(20-28-52)12-11-47-17-25-50(26-18-47)38-58(3,4)42-54-31-29-53(41-57)30-32-54/h9-36H,37-44H2,1-8H3/b10-9-,12-11+
InChIKeyIHZMFFPXTGDEQC-XAZJVICWSA-N
MW853.50 g/mol
LogP14.63
Rot. Bonds

About (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene

(2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene (PubChem CID 11506103) has the molecular formula C56H68Si4 and a molecular weight of 853.50 g/mol. Its IUPAC name is (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene.

Molecular Properties

Compound Name(2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene
PubChem CID11506103
Molecular FormulaC56H68Si4
Molecular Weight853.50 g/mol
Exact Mass852.44
IUPAC Name(2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene
SMILESC[Si]1(C)Cc2ccc(cc2)/C=C\c2ccc(cc2)C[Si](C)(C)Cc2ccc(cc2)C[Si](C)(C)Cc2ccc(cc2)/C=C/c2ccc(cc2)C[Si](C)(C)Cc2ccc(cc2)C1
InChIInChI=1S/C56H68Si4/c1-57(2)37-49-21-13-45(14-22-49)9-10-46-15-23-51(24-16-46)39-59(5,6)43-55-33-35-56(36-34-55)44-60(7,8)40-52-27-19-48(20-28-52)12-11-47-17-25-50(26-18-47)38-58(3,4)42-54-31-29-53(41-57)30-32-54/h9-36H,37-44H2,1-8H3/b10-9-,12-11+
InChIKeyIHZMFFPXTGDEQC-XAZJVICWSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.50
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene?
The IUPAC name of (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene (CID 11506103) is (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene.
What is the SMILES notation for (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene?
The canonical SMILES for (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene is C[Si]1(C)Cc2ccc(cc2)/C=C\c2ccc(cc2)C[Si](C)(C)Cc2ccc(cc2)C[Si](C)(C)Cc2ccc(cc2)/C=C/c2ccc(cc2)C[Si](C)(C)Cc2ccc(cc2)C1.
What is the InChIKey of (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene?
The InChIKey is IHZMFFPXTGDEQC-XAZJVICWSA-N. The full InChI is InChI=1S/C56H68Si4/c1-57(2)37-49-21-13-45(14-22-49)9-10-46-15-23-51(24-16-46)39-59(5,6)43-55-33-35-56(36-34-55)44-60(7,8)40-52-27-19-48(20-28-52)12-11-47-17-25-50(26-18-47)38-58(3,4)42-54-31-29-53(41-57)30-32-54/h9-36H,37-44H2,1-8H3/b10-9-,12-11+.
What are the key properties of (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene?
(2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene has a molecular weight of 853.50 g/mol, XLogP of 14.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,22E)-9,9,16,16,29,29,36,36-octamethyl-9,16,29,36-tetrasilaheptacyclo[36.2.2.24,7.211,14.218,21.224,27.231,34]dopentaconta-1(41),2,4,6,11,13,18,20,22,24(46),25,27(45),31(44),32,34(43),38(42),39,47,49,51-icosaene is sourced from PubChem (CID 11506103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).