3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

C42H38O12Si7 — CID 23579059

IUPAC3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
SMILESO[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O)(c3ccccc3)O[Si]3(c4ccccc4)O[Si](O)(c4ccccc4)O[Si](c4ccccc4)(O1)O[Si](c1ccccc1)(O2)O3
InChIInChI=1S/C42H38O12Si7/c43-55(36-22-8-1-9-23-36)46-58(39-28-14-4-15-29-39)48-56(44,37-24-10-2-11-25-37)50-60(41-32-18-6-19-33-41)51-57(45,38-26-12-3-13-27-38)49-59(47-55,40-30-16-5-17-31-40)53-61(52-58,54-60)42-34-20-7-21-35-42/h1-35,43-45H
InChIKeyUDRGDXJRPXCVOA-UHFFFAOYSA-N
MW931.36 g/mol
LogP1.08
Rot. Bonds7

About 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane (PubChem CID 23579059) has the molecular formula C42H38O12Si7 and a molecular weight of 931.36 g/mol. Its IUPAC name is 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane.

Molecular Properties

Compound Name3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
PubChem CID23579059
Molecular FormulaC42H38O12Si7
Molecular Weight931.36 g/mol
Exact Mass930.07
IUPAC Name3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
SMILESO[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O)(c3ccccc3)O[Si]3(c4ccccc4)O[Si](O)(c4ccccc4)O[Si](c4ccccc4)(O1)O[Si](c1ccccc1)(O2)O3
InChIInChI=1S/C42H38O12Si7/c43-55(36-22-8-1-9-23-36)46-58(39-28-14-4-15-29-39)48-56(44,37-24-10-2-11-25-37)50-60(41-32-18-6-19-33-41)51-57(45,38-26-12-3-13-27-38)49-59(47-55,40-30-16-5-17-31-40)53-61(52-58,54-60)42-34-20-7-21-35-42/h1-35,43-45H
InChIKeyUDRGDXJRPXCVOA-UHFFFAOYSA-N
XLogP1.08
TPSA143.76 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The IUPAC name of 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane (CID 23579059) is 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane.
What is the SMILES notation for 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The canonical SMILES for 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane is O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O)(c3ccccc3)O[Si]3(c4ccccc4)O[Si](O)(c4ccccc4)O[Si](c4ccccc4)(O1)O[Si](c1ccccc1)(O2)O3.
What is the InChIKey of 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The InChIKey is UDRGDXJRPXCVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38O12Si7/c43-55(36-22-8-1-9-23-36)46-58(39-28-14-4-15-29-39)48-56(44,37-24-10-2-11-25-37)50-60(41-32-18-6-19-33-41)51-57(45,38-26-12-3-13-27-38)49-59(47-55,40-30-16-5-17-31-40)53-61(52-58,54-60)42-34-20-7-21-35-42/h1-35,43-45H.
What are the key properties of 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane has a molecular weight of 931.36 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane is sourced from PubChem (CID 23579059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).