2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine

C27H51ClN4Si2 — CID 135007929

IUPAC2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine
SMILESCC(C)(C)N1CCN(C(C)(C)C)[Si]1(Cl)[Si]1(Cc2ccccc2)N(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C27H51ClN4Si2/c1-24(2,3)29-18-19-30(25(4,5)6)33(29,22-23-16-14-13-15-17-23)34(28)31(26(7,8)9)20-21-32(34)27(10,11)12/h13-17H,18-22H2,1-12H3
InChIKeyUSJAPZDWDWSJLB-UHFFFAOYSA-N
MW523.36 g/mol
LogP5.90
Rot. Bonds3

About 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine

2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine (PubChem CID 135007929) has the molecular formula C27H51ClN4Si2 and a molecular weight of 523.36 g/mol. Its IUPAC name is 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine.

Molecular Properties

Compound Name2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine
PubChem CID135007929
Molecular FormulaC27H51ClN4Si2
Molecular Weight523.36 g/mol
Exact Mass522.33
IUPAC Name2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine
SMILESCC(C)(C)N1CCN(C(C)(C)C)[Si]1(Cl)[Si]1(Cc2ccccc2)N(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C27H51ClN4Si2/c1-24(2,3)29-18-19-30(25(4,5)6)33(29,22-23-16-14-13-15-17-23)34(28)31(26(7,8)9)20-21-32(34)27(10,11)12/h13-17H,18-22H2,1-12H3
InChIKeyUSJAPZDWDWSJLB-UHFFFAOYSA-N
XLogP5.90
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.36
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine?
The IUPAC name of 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine (CID 135007929) is 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine.
What is the SMILES notation for 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine?
The canonical SMILES for 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine is CC(C)(C)N1CCN(C(C)(C)C)[Si]1(Cl)[Si]1(Cc2ccccc2)N(C(C)(C)C)CCN1C(C)(C)C.
What is the InChIKey of 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine?
The InChIKey is USJAPZDWDWSJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51ClN4Si2/c1-24(2,3)29-18-19-30(25(4,5)6)33(29,22-23-16-14-13-15-17-23)34(28)31(26(7,8)9)20-21-32(34)27(10,11)12/h13-17H,18-22H2,1-12H3.
What are the key properties of 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine?
2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine has a molecular weight of 523.36 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidin-2-yl)-1,3,2-diazasilolidine is sourced from PubChem (CID 135007929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).