3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane

C52H48N4Si2 — CID 4085658

IUPAC3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane
SMILESc1ccc(C[Si]2(Cc3ccccc3)N(c3ccccc3)N(c3ccccc3)[Si](Cc3ccccc3)(Cc3ccccc3)N(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C52H48N4Si2/c1-9-25-45(26-10-1)41-57(42-46-27-11-2-12-28-46)53(49-33-17-5-18-34-49)55(51-37-21-7-22-38-51)58(43-47-29-13-3-14-30-47,44-48-31-15-4-16-32-48)56(52-39-23-8-24-40-52)54(57)50-35-19-6-20-36-50/h1-40H,41-44H2
InChIKeyVGSIHXSOJFELFC-UHFFFAOYSA-N
MW785.16 g/mol
LogP11.87
Rot. Bonds12

About 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane

3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane (PubChem CID 4085658) has the molecular formula C52H48N4Si2 and a molecular weight of 785.16 g/mol. Its IUPAC name is 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane.

Molecular Properties

Compound Name3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane
PubChem CID4085658
Molecular FormulaC52H48N4Si2
Molecular Weight785.16 g/mol
Exact Mass784.34
IUPAC Name3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane
SMILESc1ccc(C[Si]2(Cc3ccccc3)N(c3ccccc3)N(c3ccccc3)[Si](Cc3ccccc3)(Cc3ccccc3)N(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C52H48N4Si2/c1-9-25-45(26-10-1)41-57(42-46-27-11-2-12-28-46)53(49-33-17-5-18-34-49)55(51-37-21-7-22-38-51)58(43-47-29-13-3-14-30-47,44-48-31-15-4-16-32-48)56(52-39-23-8-24-40-52)54(57)50-35-19-6-20-36-50/h1-40H,41-44H2
InChIKeyVGSIHXSOJFELFC-UHFFFAOYSA-N
XLogP11.87
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.16
LogP ≤ 511.87
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 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane?
The IUPAC name of 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane (CID 4085658) is 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane.
What is the SMILES notation for 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane?
The canonical SMILES for 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane is c1ccc(C[Si]2(Cc3ccccc3)N(c3ccccc3)N(c3ccccc3)[Si](Cc3ccccc3)(Cc3ccccc3)N(c3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane?
The InChIKey is VGSIHXSOJFELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N4Si2/c1-9-25-45(26-10-1)41-57(42-46-27-11-2-12-28-46)53(49-33-17-5-18-34-49)55(51-37-21-7-22-38-51)58(43-47-29-13-3-14-30-47,44-48-31-15-4-16-32-48)56(52-39-23-8-24-40-52)54(57)50-35-19-6-20-36-50/h1-40H,41-44H2.
What are the key properties of 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane?
3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane has a molecular weight of 785.16 g/mol, XLogP of 11.87, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane is sourced from PubChem (CID 4085658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).