ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane

C48H92N4P4Si2 — CID 139111762

IUPACditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane
SMILESCC(C)(C)P(CN1[SiH2]N(CP(C(C)(C)C)C(C)(C)C)c2ccccc21)C(C)(C)C.CC(C)(C)P(CN1[SiH2]N(CP(C(C)(C)C)C(C)(C)C)c2ccccc21)C(C)(C)C
InChIInChI=1S/2C24H46N2P2Si/c2*1-21(2,3)27(22(4,5)6)17-25-19-15-13-14-16-20(19)26(29-25)18-28(23(7,8)9)24(10,11)12/h2*13-16H,17-18,29H2,1-12H3
InChIKeyIADACOMNLJOVQG-UHFFFAOYSA-N
MW905.36 g/mol
LogP14.77
Rot. Bonds8

About ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane

ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane (PubChem CID 139111762) has the molecular formula C48H92N4P4Si2 and a molecular weight of 905.36 g/mol. Its IUPAC name is ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane
PubChem CID139111762
Molecular FormulaC48H92N4P4Si2
Molecular Weight905.36 g/mol
Exact Mass904.58
IUPAC Nameditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane
SMILESCC(C)(C)P(CN1[SiH2]N(CP(C(C)(C)C)C(C)(C)C)c2ccccc21)C(C)(C)C.CC(C)(C)P(CN1[SiH2]N(CP(C(C)(C)C)C(C)(C)C)c2ccccc21)C(C)(C)C
InChIInChI=1S/2C24H46N2P2Si/c2*1-21(2,3)27(22(4,5)6)17-25-19-15-13-14-16-20(19)26(29-25)18-28(23(7,8)9)24(10,11)12/h2*13-16H,17-18,29H2,1-12H3
InChIKeyIADACOMNLJOVQG-UHFFFAOYSA-N
XLogP14.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.36
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane (CID 139111762) is ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane is CC(C)(C)P(CN1[SiH2]N(CP(C(C)(C)C)C(C)(C)C)c2ccccc21)C(C)(C)C.CC(C)(C)P(CN1[SiH2]N(CP(C(C)(C)C)C(C)(C)C)c2ccccc21)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane?
The InChIKey is IADACOMNLJOVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H46N2P2Si/c2*1-21(2,3)27(22(4,5)6)17-25-19-15-13-14-16-20(19)26(29-25)18-28(23(7,8)9)24(10,11)12/h2*13-16H,17-18,29H2,1-12H3.
What are the key properties of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane?
ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane has a molecular weight of 905.36 g/mol, XLogP of 14.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2H-1,3,2-benzodiazasilol-1-yl]methyl]phosphane is sourced from PubChem (CID 139111762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).