2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane

C61H52O4Si3Sn2 — CID 151768856

IUPAC2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane
SMILESc1ccc([Si]2(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Sn](c3ccccc3)(c3ccccc3)C[Sn](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C36H30O4Si3.4C6H5.CH2.2Sn/c37-41(31-19-7-1-8-20-31,32-21-9-2-10-22-32)39-43(35-27-15-5-16-28-35,36-29-17-6-18-30-36)40-42(38,33-23-11-3-12-24-33)34-25-13-4-14-26-34;4*1-2-4-6-5-3-1;;;/h1-30H;4*1-5H;1H2;;/q-2;;;;;;2*+1
InChIKeyRSECOUDQZUCFEC-UHFFFAOYSA-N
MW1170.76 g/mol
LogP6.90
Rot. Bonds10

About 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane

2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane (PubChem CID 151768856) has the molecular formula C61H52O4Si3Sn2 and a molecular weight of 1170.76 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane
PubChem CID151768856
Molecular FormulaC61H52O4Si3Sn2
Molecular Weight1170.76 g/mol
Exact Mass1172.12
IUPAC Name2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane
SMILESc1ccc([Si]2(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Sn](c3ccccc3)(c3ccccc3)C[Sn](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C36H30O4Si3.4C6H5.CH2.2Sn/c37-41(31-19-7-1-8-20-31,32-21-9-2-10-22-32)39-43(35-27-15-5-16-28-35,36-29-17-6-18-30-36)40-42(38,33-23-11-3-12-24-33)34-25-13-4-14-26-34;4*1-2-4-6-5-3-1;;;/h1-30H;4*1-5H;1H2;;/q-2;;;;;;2*+1
InChIKeyRSECOUDQZUCFEC-UHFFFAOYSA-N
XLogP6.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.76
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane (CID 151768856) is 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane is c1ccc([Si]2(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Sn](c3ccccc3)(c3ccccc3)C[Sn](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane?
The InChIKey is RSECOUDQZUCFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O4Si3.4C6H5.CH2.2Sn/c37-41(31-19-7-1-8-20-31,32-21-9-2-10-22-32)39-43(35-27-15-5-16-28-35,36-29-17-6-18-30-36)40-42(38,33-23-11-3-12-24-33)34-25-13-4-14-26-34;4*1-2-4-6-5-3-1;;;/h1-30H;4*1-5H;1H2;;/q-2;;;;;;2*+1.
What are the key properties of 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane?
2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane has a molecular weight of 1170.76 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane is sourced from PubChem (CID 151768856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).