2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine

C20H48F2N4P2S2Si2 — CID 15264596

IUPAC2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine
SMILESCN([Si](F)(C(C)(C)C)C(C)(C)C)P1(=S)N(C)P(=S)(N(C)[Si](F)(C(C)(C)C)C(C)(C)C)N1C
InChIInChI=1S/C20H48F2N4P2S2Si2/c1-17(2,3)31(21,18(4,5)6)25(15)27(29)23(13)28(30,24(27)14)26(16)32(22,19(7,8)9)20(10,11)12/h1-16H3
InChIKeyWNLWJGCMNBRTRZ-UHFFFAOYSA-N
MW564.88 g/mol
LogP8.20
Rot. Bonds4

About 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine

2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine (PubChem CID 15264596) has the molecular formula C20H48F2N4P2S2Si2 and a molecular weight of 564.88 g/mol. Its IUPAC name is 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine
PubChem CID15264596
Molecular FormulaC20H48F2N4P2S2Si2
Molecular Weight564.88 g/mol
Exact Mass564.23
IUPAC Name2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine
SMILESCN([Si](F)(C(C)(C)C)C(C)(C)C)P1(=S)N(C)P(=S)(N(C)[Si](F)(C(C)(C)C)C(C)(C)C)N1C
InChIInChI=1S/C20H48F2N4P2S2Si2/c1-17(2,3)31(21,18(4,5)6)25(15)27(29)23(13)28(30,24(27)14)26(16)32(22,19(7,8)9)20(10,11)12/h1-16H3
InChIKeyWNLWJGCMNBRTRZ-UHFFFAOYSA-N
XLogP8.20
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.88
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-1,3,2,4-diazadiphosphetidine-2,4-diamine
CID 15264595

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine (CID 15264596) is 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine is CN([Si](F)(C(C)(C)C)C(C)(C)C)P1(=S)N(C)P(=S)(N(C)[Si](F)(C(C)(C)C)C(C)(C)C)N1C.
What is the InChIKey of 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine?
The InChIKey is WNLWJGCMNBRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48F2N4P2S2Si2/c1-17(2,3)31(21,18(4,5)6)25(15)27(29)23(13)28(30,24(27)14)26(16)32(22,19(7,8)9)20(10,11)12/h1-16H3.
What are the key properties of 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine?
2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine has a molecular weight of 564.88 g/mol, XLogP of 8.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[ditert-butyl(fluoro)silyl]-2-N,4-N,1,3-tetramethyl-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diamine is sourced from PubChem (CID 15264596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).