9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane

C50H50O13Si10 — CID 123468344

IUPAC9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane
SMILESC[SiH]1O[SiH](c2ccccc2)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[SiH](C)O[Si]4(c5ccccc5)O[Si](c5ccccc5)(O[SiH](c5ccccc5)O3)O[Si](c3ccccc3)(O1)O[Si](c1ccccc1)(O4)O2
InChIInChI=1S/C50H50O13Si10/c1-64-51-66(43-27-11-3-12-28-43)55-71(48-37-21-8-22-38-48)58-68(45-31-15-5-16-32-45)53-65(2)54-70(47-35-19-7-20-36-47)60-72(49-39-23-9-24-40-49,57-67(56-68)44-29-13-4-14-30-44)59-69(52-64,46-33-17-6-18-34-46)61-73(62-70,63-71)50-41-25-10-26-42-50/h3-42,64-67H,1-2H3
InChIKeyYGMWQYAASQKTIW-UHFFFAOYSA-N
MW1139.80 g/mol
LogP2.29
Rot. Bonds8

About 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane

9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane (PubChem CID 123468344) has the molecular formula C50H50O13Si10 and a molecular weight of 1139.80 g/mol. Its IUPAC name is 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane.

Molecular Properties

Compound Name9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane
PubChem CID123468344
Molecular FormulaC50H50O13Si10
Molecular Weight1139.80 g/mol
Exact Mass1138.09
IUPAC Name9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane
SMILESC[SiH]1O[SiH](c2ccccc2)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[SiH](C)O[Si]4(c5ccccc5)O[Si](c5ccccc5)(O[SiH](c5ccccc5)O3)O[Si](c3ccccc3)(O1)O[Si](c1ccccc1)(O4)O2
InChIInChI=1S/C50H50O13Si10/c1-64-51-66(43-27-11-3-12-28-43)55-71(48-37-21-8-22-38-48)58-68(45-31-15-5-16-32-45)53-65(2)54-70(47-35-19-7-20-36-47)60-72(49-39-23-9-24-40-49,57-67(56-68)44-29-13-4-14-30-44)59-69(52-64,46-33-17-6-18-34-46)61-73(62-70,63-71)50-41-25-10-26-42-50/h3-42,64-67H,1-2H3
InChIKeyYGMWQYAASQKTIW-UHFFFAOYSA-N
XLogP2.29
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.80
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane with MolForge

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Related Compounds

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3-phenyldioxasilirane
CID 173414769
9,19-dihydroxy-9,19-bis(2-methylpropyl)-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosane
CID 101468716
methyl-[[11,14,17-tris(methylsilyloxy)-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane
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CID 123360837
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1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane
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CID 136734845
CID 136734845
trimethyl-[[6-methyl-1,3,8,10,12-pentakis-phenyl-3,12-bis(trimethylsilyloxy)-2,4,7,9,11,13,14-heptaoxa-1,3,6,8,10,12-hexasilabicyclo[6.5.1]tetradecan-10-yl]oxy-phenylsilyl]oxysilane
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Frequently Asked Questions

What is the IUPAC name of 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane?
The IUPAC name of 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane (CID 123468344) is 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane.
What is the SMILES notation for 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane?
The canonical SMILES for 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane is C[SiH]1O[SiH](c2ccccc2)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[SiH](C)O[Si]4(c5ccccc5)O[Si](c5ccccc5)(O[SiH](c5ccccc5)O3)O[Si](c3ccccc3)(O1)O[Si](c1ccccc1)(O4)O2.
What is the InChIKey of 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane?
The InChIKey is YGMWQYAASQKTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50O13Si10/c1-64-51-66(43-27-11-3-12-28-43)55-71(48-37-21-8-22-38-48)58-68(45-31-15-5-16-32-45)53-65(2)54-70(47-35-19-7-20-36-47)60-72(49-39-23-9-24-40-49,57-67(56-68)44-29-13-4-14-30-44)59-69(52-64,46-33-17-6-18-34-46)61-73(62-70,63-71)50-41-25-10-26-42-50/h3-42,64-67H,1-2H3.
What are the key properties of 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane?
9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane has a molecular weight of 1139.80 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane is sourced from PubChem (CID 123468344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).