dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane

C96H80Cl16O16Si16 — CID 58703821

About dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane

dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane (PubChem CID 58703821) has the molecular formula C96H80Cl16O16Si16 and a molecular weight of 2506.30 g/mol. Its IUPAC name is dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane.

Molecular Properties

• Compound Name: dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane
• PubChem CID: 58703821
• Molecular Formula: C96H80Cl16O16Si16
• Molecular Weight: 2506.30 g/mol
• Exact Mass: 2495.68
• IUPAC Name: dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane
• SMILES: Cl[Si](Cl)(O[Si]1(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O1)c1ccccc1
• InChI: InChI=1S/C96H80Cl16O16Si16/c97-129(98,81-49-17-1-18-50-81)113-137(89-65-33-9-34-66-89)121-138(90-67-35-10-36-68-90,114-130(99,100)82-51-19-2-20-52-82)123-140(92-71-39-12-40-72-92,116-132(103,104)84-55-23-4-24-56-84)125-142(94-75-43-14-44-76-94,118-134(107,108)86-59-27-6-28-60-86)127-144(96-79-47-16-48-80-96,120-136(111,112)88-63-31-8-32-64-88)128-143(95-77-45-15-46-78-95,119-135(109,110)87-61-29-7-30-62-87)126-141(93-73-41-13-42-74-93,117-133(105,106)85-57-25-5-26-58-85)124-139(122-137,91-69-37-11-38-70-91)115-131(101,102)83-53-21-3-22-54-83/h1-80H
• InChIKey: MYERFCIUGJPTIH-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 147.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2506.30
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane?

The IUPAC name of dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane (CID 58703821) is dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane.

What is the SMILES notation for dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane?

The canonical SMILES for dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane is Cl[Si](Cl)(O[Si]1(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O1)c1ccccc1.

What is the InChIKey of dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane?

The InChIKey is MYERFCIUGJPTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H80Cl16O16Si16/c97-129(98,81-49-17-1-18-50-81)113-137(89-65-33-9-34-66-89)121-138(90-67-35-10-36-68-90,114-130(99,100)82-51-19-2-20-52-82)123-140(92-71-39-12-40-72-92,116-132(103,104)84-55-23-4-24-56-84)125-142(94-75-43-14-44-76-94,118-134(107,108)86-59-27-6-28-60-86)127-144(96-79-47-16-48-80-96,120-136(111,112)88-63-31-8-32-64-88)128-143(95-77-45-15-46-78-95,119-135(109,110)87-61-29-7-30-62-87)126-141(93-73-41-13-42-74-93,117-133(105,106)85-57-25-5-26-58-85)124-139(122-137,91-69-37-11-38-70-91)115-131(101,102)83-53-21-3-22-54-83/h1-80H.

What are the key properties of dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane?

dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane has a molecular weight of 2506.30 g/mol, XLogP of 17.62, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dichloro-[[4,6,8,10,12,14,16-heptakis[[dichloro(phenyl)silyl]oxy]-2,4,6,8,10,12,14,16-octakis-phenyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl]oxy]-phenylsilane is sourced from PubChem (CID 58703821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).