CID 176752229

C56H68O13Si12 — CID 176752229

IUPAC—
SMILESC[SiH](C)O[Si]1(c2ccccc2)O[Si](c2ccccc2)O[Si](O[SiH](C)C)(c2ccccc2)O[Si](O[Si]2(c3ccccc3)O[Si](O[SiH](C)C)(c3ccccc3)O[Si](c3ccccc3)O[Si](O[SiH](C)C)(c3ccccc3)O2)(c2ccccc2)O1
InChIInChI=1S/C56H68O13Si12/c1-70(2)57-76(51-37-21-11-22-38-51)61-74(49-33-17-9-18-34-49)62-77(58-71(3)4,52-39-23-12-24-40-52)66-80(65-76,55-45-29-15-30-46-55)69-81(56-47-31-16-32-48-56)67-78(59-72(5)6,53-41-25-13-26-42-53)63-75(50-35-19-10-20-36-50)64-79(68-81,60-73(7)8)54-43-27-14-28-44-54/h9-48,70-73H,1-8H3
InChIKeyHGEOUOFVWZQQTM-UHFFFAOYSA-N
MW1286.18 g/mol
LogP5.03
Rot. Bonds18

About CID 176752229

CID 176752229 (PubChem CID 176752229) has the molecular formula C56H68O13Si12 and a molecular weight of 1286.18 g/mol.

Molecular Properties

Compound NameCID 176752229
PubChem CID176752229
Molecular FormulaC56H68O13Si12
Molecular Weight1286.18 g/mol
Exact Mass1284.19
IUPAC Name—
SMILESC[SiH](C)O[Si]1(c2ccccc2)O[Si](c2ccccc2)O[Si](O[SiH](C)C)(c2ccccc2)O[Si](O[Si]2(c3ccccc3)O[Si](O[SiH](C)C)(c3ccccc3)O[Si](c3ccccc3)O[Si](O[SiH](C)C)(c3ccccc3)O2)(c2ccccc2)O1
InChIInChI=1S/C56H68O13Si12/c1-70(2)57-76(51-37-21-11-22-38-51)61-74(49-33-17-9-18-34-49)62-77(58-71(3)4,52-39-23-12-24-40-52)66-80(65-76,55-45-29-15-30-46-55)69-81(56-47-31-16-32-48-56)67-78(59-72(5)6,53-41-25-13-26-42-53)63-75(50-35-19-10-20-36-50)64-79(68-81,60-73(7)8)54-43-27-14-28-44-54/h9-48,70-73H,1-8H3
InChIKeyHGEOUOFVWZQQTM-UHFFFAOYSA-N
XLogP5.03
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001286.18
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 176752229?
The IUPAC name of CID 176752229 (CID 176752229) is not available.
What is the SMILES notation for CID 176752229?
The canonical SMILES for CID 176752229 is C[SiH](C)O[Si]1(c2ccccc2)O[Si](c2ccccc2)O[Si](O[SiH](C)C)(c2ccccc2)O[Si](O[Si]2(c3ccccc3)O[Si](O[SiH](C)C)(c3ccccc3)O[Si](c3ccccc3)O[Si](O[SiH](C)C)(c3ccccc3)O2)(c2ccccc2)O1.
What is the InChIKey of CID 176752229?
The InChIKey is HGEOUOFVWZQQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H68O13Si12/c1-70(2)57-76(51-37-21-11-22-38-51)61-74(49-33-17-9-18-34-49)62-77(58-71(3)4,52-39-23-12-24-40-52)66-80(65-76,55-45-29-15-30-46-55)69-81(56-47-31-16-32-48-56)67-78(59-72(5)6,53-41-25-13-26-42-53)63-75(50-35-19-10-20-36-50)64-79(68-81,60-73(7)8)54-43-27-14-28-44-54/h9-48,70-73H,1-8H3.
What are the key properties of CID 176752229?
CID 176752229 has a molecular weight of 1286.18 g/mol, XLogP of 5.03, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176752229 is sourced from PubChem (CID 176752229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).