2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C60H48O4Si4 — CID 169094040

IUPAC2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(c2cccc3c2ccc2ccccc23)O[Si](C)(c2cccc3c2ccc2ccccc23)O[Si](C)(c2cccc3c2ccc2ccccc23)O[Si](C)(c2cccc3c2ccc2ccccc23)O1
InChIInChI=1S/C60H48O4Si4/c1-65(57-29-13-25-49-45-21-9-5-17-41(45)33-37-53(49)57)61-66(2,58-30-14-26-50-46-22-10-6-18-42(46)34-38-54(50)58)63-68(4,60-32-16-28-52-48-24-12-8-20-44(48)36-40-56(52)60)64-67(3,62-65)59-31-15-27-51-47-23-11-7-19-43(47)35-39-55(51)59/h5-40H,1-4H3
InChIKeyZOJGXBBILCCIDJ-UHFFFAOYSA-N
MW945.38 g/mol
LogP13.21
Rot. Bonds4

About 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 169094040) has the molecular formula C60H48O4Si4 and a molecular weight of 945.38 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID169094040
Molecular FormulaC60H48O4Si4
Molecular Weight945.38 g/mol
Exact Mass944.26
IUPAC Name2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(c2cccc3c2ccc2ccccc23)O[Si](C)(c2cccc3c2ccc2ccccc23)O[Si](C)(c2cccc3c2ccc2ccccc23)O[Si](C)(c2cccc3c2ccc2ccccc23)O1
InChIInChI=1S/C60H48O4Si4/c1-65(57-29-13-25-49-45-21-9-5-17-41(45)33-37-53(49)57)61-66(2,58-30-14-26-50-46-22-10-6-18-42(46)34-38-54(50)58)63-68(4,60-32-16-28-52-48-24-12-8-20-44(48)36-40-56(52)60)64-67(3,62-65)59-31-15-27-51-47-23-11-7-19-43(47)35-39-55(51)59/h5-40H,1-4H3
InChIKeyZOJGXBBILCCIDJ-UHFFFAOYSA-N
XLogP13.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.38
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 169094040) is 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(c2cccc3c2ccc2ccccc23)O[Si](C)(c2cccc3c2ccc2ccccc23)O[Si](C)(c2cccc3c2ccc2ccccc23)O[Si](C)(c2cccc3c2ccc2ccccc23)O1.
What is the InChIKey of 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is ZOJGXBBILCCIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48O4Si4/c1-65(57-29-13-25-49-45-21-9-5-17-41(45)33-37-53(49)57)61-66(2,58-30-14-26-50-46-22-10-6-18-42(46)34-38-54(50)58)63-68(4,60-32-16-28-52-48-24-12-8-20-44(48)36-40-56(52)60)64-67(3,62-65)59-31-15-27-51-47-23-11-7-19-43(47)35-39-55(51)59/h5-40H,1-4H3.
What are the key properties of 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 945.38 g/mol, XLogP of 13.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethyl-2,4,6,8-tetra(phenanthren-1-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 169094040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).