1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine

C30H50N4OSi2 — CID 161117601

IUPAC1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine
SMILESCC(C)(C)N1C(c2ccccc2)N(C(C)(C)C)[SiH]1O[SiH]1N(C(C)(C)C)C(c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C30H50N4OSi2/c1-27(2,3)31-25(23-19-15-13-16-20-23)32(28(4,5)6)36(31)35-37-33(29(7,8)9)26(34(37)30(10,11)12)24-21-17-14-18-22-24/h13-22,25-26,36-37H,1-12H3
InChIKeyRCAUUCTXSOAQLL-UHFFFAOYSA-N
MW538.93 g/mol
LogP6.26
Rot. Bonds4

About 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine

1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine (PubChem CID 161117601) has the molecular formula C30H50N4OSi2 and a molecular weight of 538.93 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine.

Molecular Properties

Compound Name1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine
PubChem CID161117601
Molecular FormulaC30H50N4OSi2
Molecular Weight538.93 g/mol
Exact Mass538.35
IUPAC Name1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine
SMILESCC(C)(C)N1C(c2ccccc2)N(C(C)(C)C)[SiH]1O[SiH]1N(C(C)(C)C)C(c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C30H50N4OSi2/c1-27(2,3)31-25(23-19-15-13-16-20-23)32(28(4,5)6)36(31)35-37-33(29(7,8)9)26(34(37)30(10,11)12)24-21-17-14-18-22-24/h13-22,25-26,36-37H,1-12H3
InChIKeyRCAUUCTXSOAQLL-UHFFFAOYSA-N
XLogP6.26
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.93
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 175460452
1-tert-butyl-2-phenylazetidin-3-amine
CID 86115793
(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
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2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine
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1-tert-butyl-4-phenylpiperidine-2,6-dione
CID 59551400

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine?
The IUPAC name of 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine (CID 161117601) is 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine.
What is the SMILES notation for 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine?
The canonical SMILES for 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine is CC(C)(C)N1C(c2ccccc2)N(C(C)(C)C)[SiH]1O[SiH]1N(C(C)(C)C)C(c2ccccc2)N1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine?
The InChIKey is RCAUUCTXSOAQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N4OSi2/c1-27(2,3)31-25(23-19-15-13-16-20-23)32(28(4,5)6)36(31)35-37-33(29(7,8)9)26(34(37)30(10,11)12)24-21-17-14-18-22-24/h13-22,25-26,36-37H,1-12H3.
What are the key properties of 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine?
1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine has a molecular weight of 538.93 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine is sourced from PubChem (CID 161117601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).