CID 166026193

C42H35O4Si4 — CID 166026193

IUPAC—
SMILESc1ccc([Si]2O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C42H35O4Si4/c1-8-22-36(23-9-1)47-43-48(37-24-10-2-11-25-37,38-26-12-3-13-27-38)45-50(41-32-18-6-19-33-41,42-34-20-7-21-35-42)46-49(44-47,39-28-14-4-15-29-39)40-30-16-5-17-31-40/h1-35H
InChIKeyKZCFZDTZOMJNBU-UHFFFAOYSA-N
MW716.08 g/mol
LogP4.23
Rot. Bonds7

About CID 166026193

CID 166026193 (PubChem CID 166026193) has the molecular formula C42H35O4Si4 and a molecular weight of 716.08 g/mol.

Molecular Properties

Compound NameCID 166026193
PubChem CID166026193
Molecular FormulaC42H35O4Si4
Molecular Weight716.08 g/mol
Exact Mass715.16
IUPAC Name—
SMILESc1ccc([Si]2O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C42H35O4Si4/c1-8-22-36(23-9-1)47-43-48(37-24-10-2-11-25-37,38-26-12-3-13-27-38)45-50(41-32-18-6-19-33-41,42-34-20-7-21-35-42)46-49(44-47,39-28-14-4-15-29-39)40-30-16-5-17-31-40/h1-35H
InChIKeyKZCFZDTZOMJNBU-UHFFFAOYSA-N
XLogP4.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500716.08
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2,2,4,4,6,6-hexamethyl-8,8,10,10-tetraphenyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 6429726
2,2,4,4,6,6,7,7-octakis-phenyl-1,3,5,2,4,6,7-trioxatetrasilepane
CID 5147975
8,8,17,17-tetramethyl-2,2,4,4,12,12,14,14-octakis-phenyl-1,3,5,7,9,11,13,15,16,18-decaoxa-2,4,6,8,10,12,14,17-octasiladispiro[5.3.510.36]octadecane
CID 23266209
CID 176752229
CID 176752229
2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
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2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane
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2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
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(2,4-dimethyl-6,6-diphenyl-4-trimethylsilyloxy-1,3,5,2,4,6-trioxatrisilinan-2-yl)oxy-trimethylsilane
CID 22098134
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
CID 136864481
CID 136864481

Frequently Asked Questions

What is the IUPAC name of CID 166026193?
The IUPAC name of CID 166026193 (CID 166026193) is not available.
What is the SMILES notation for CID 166026193?
The canonical SMILES for CID 166026193 is c1ccc([Si]2O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of CID 166026193?
The InChIKey is KZCFZDTZOMJNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35O4Si4/c1-8-22-36(23-9-1)47-43-48(37-24-10-2-11-25-37,38-26-12-3-13-27-38)45-50(41-32-18-6-19-33-41,42-34-20-7-21-35-42)46-49(44-47,39-28-14-4-15-29-39)40-30-16-5-17-31-40/h1-35H.
What are the key properties of CID 166026193?
CID 166026193 has a molecular weight of 716.08 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166026193 is sourced from PubChem (CID 166026193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).