[4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate

C85H102O12Si8 — CID 21364897

IUPAC[4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate
SMILESCc1cc(C2(c3ccc(OC(=O)Oc4ccccc4CCC[Si](C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(c4ccccc4)c4ccccc4)c(C)c3)c3ccccc3-c3ccccc32)ccc1OC(=O)Oc1ccccc1CCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C85H102O12Si8/c1-65-63-69(57-59-79(65)88-83(86)90-81-55-35-29-39-67(81)41-37-61-102(14,93-99(6,7)8)97-105(94-100(9,10)11,73-47-25-19-26-48-73)74-49-27-20-28-50-74)85(77-53-33-31-51-75(77)76-52-32-34-54-78(76)85)70-58-60-80(66(2)64-70)89-84(87)91-82-56-36-30-40-68(82)42-38-62-103(15,95-101(12,13)92-98(3,4)5)96-104(16,71-43-21-17-22-44-71)72-45-23-18-24-46-72/h17-36,39-40,43-60,63-64H,37-38,41-42,61-62H2,1-16H3
InChIKeyTUUVYLLHUMGHGO-UHFFFAOYSA-N
MW1540.43 g/mol
LogP19.78
Rot. Bonds30

About [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate

[4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate (PubChem CID 21364897) has the molecular formula C85H102O12Si8 and a molecular weight of 1540.43 g/mol. Its IUPAC name is [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate.

Molecular Properties

Compound Name[4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate
PubChem CID21364897
Molecular FormulaC85H102O12Si8
Molecular Weight1540.43 g/mol
Exact Mass1538.55
IUPAC Name[4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate
SMILESCc1cc(C2(c3ccc(OC(=O)Oc4ccccc4CCC[Si](C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(c4ccccc4)c4ccccc4)c(C)c3)c3ccccc3-c3ccccc32)ccc1OC(=O)Oc1ccccc1CCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C85H102O12Si8/c1-65-63-69(57-59-79(65)88-83(86)90-81-55-35-29-39-67(81)41-37-61-102(14,93-99(6,7)8)97-105(94-100(9,10)11,73-47-25-19-26-48-73)74-49-27-20-28-50-74)85(77-53-33-31-51-75(77)76-52-32-34-54-78(76)85)70-58-60-80(66(2)64-70)89-84(87)91-82-56-36-30-40-68(82)42-38-62-103(15,95-101(12,13)92-98(3,4)5)96-104(16,71-43-21-17-22-44-71)72-45-23-18-24-46-72/h17-36,39-40,43-60,63-64H,37-38,41-42,61-62H2,1-16H3
InChIKeyTUUVYLLHUMGHGO-UHFFFAOYSA-N
XLogP19.78
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.43
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate?
The IUPAC name of [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate (CID 21364897) is [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate.
What is the SMILES notation for [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate?
The canonical SMILES for [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate is Cc1cc(C2(c3ccc(OC(=O)Oc4ccccc4CCC[Si](C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(c4ccccc4)c4ccccc4)c(C)c3)c3ccccc3-c3ccccc32)ccc1OC(=O)Oc1ccccc1CCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate?
The InChIKey is TUUVYLLHUMGHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H102O12Si8/c1-65-63-69(57-59-79(65)88-83(86)90-81-55-35-29-39-67(81)41-37-61-102(14,93-99(6,7)8)97-105(94-100(9,10)11,73-47-25-19-26-48-73)74-49-27-20-28-50-74)85(77-53-33-31-51-75(77)76-52-32-34-54-78(76)85)70-58-60-80(66(2)64-70)89-84(87)91-82-56-36-30-40-68(82)42-38-62-103(15,95-101(12,13)92-98(3,4)5)96-104(16,71-43-21-17-22-44-71)72-45-23-18-24-46-72/h17-36,39-40,43-60,63-64H,37-38,41-42,61-62H2,1-16H3.
What are the key properties of [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate?
[4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate has a molecular weight of 1540.43 g/mol, XLogP of 19.78, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-[4-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl(diphenyl)silyl]oxysilyl]propyl]phenoxy]carbonyloxy-3-methylphenyl]fluoren-9-yl]-2-methylphenyl] [2-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenyl] carbonate is sourced from PubChem (CID 21364897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).