(4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane

C25H32NPSi — CID 102250430

IUPAC(4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane
SMILESCC(C)(C)c1ccc(P(=N[Si](C)(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H32NPSi/c1-25(2,3)21-17-19-24(20-18-21)27(26-28(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-20H,1-6H3
InChIKeyOBIUSCZZNJNTEU-UHFFFAOYSA-N
MW405.60 g/mol
LogP6.30
Rot. Bonds4

About (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane

(4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane (PubChem CID 102250430) has the molecular formula C25H32NPSi and a molecular weight of 405.60 g/mol. Its IUPAC name is (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane.

Molecular Properties

Compound Name(4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane
PubChem CID102250430
Molecular FormulaC25H32NPSi
Molecular Weight405.60 g/mol
Exact Mass405.20
IUPAC Name(4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane
SMILESCC(C)(C)c1ccc(P(=N[Si](C)(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H32NPSi/c1-25(2,3)21-17-19-24(20-18-21)27(26-28(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-20H,1-6H3
InChIKeyOBIUSCZZNJNTEU-UHFFFAOYSA-N
XLogP6.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.60
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-fluoro-phenyl-trimethylsilylimino-λ5-phosphane
CID 101009759
dimethyl-phenyl-trimethylsilylimino-lambda5-phosphane
CID 12538833
[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane
CID 170059377
CID 171375456
CID 171375456
tris(4-tert-butylphenyl)-methylidene-λ5-phosphane
CID 89204030
CID 6396783
CID 6396783
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
carbanide;[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-trimethylsilylazanide;titanium(2+)
CID 20675229
(4-tert-butylphenyl)-diphenylphosphorylmethanone
CID 21464702

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane?
The IUPAC name of (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane (CID 102250430) is (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane.
What is the SMILES notation for (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane?
The canonical SMILES for (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane is CC(C)(C)c1ccc(P(=N[Si](C)(C)C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane?
The InChIKey is OBIUSCZZNJNTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32NPSi/c1-25(2,3)21-17-19-24(20-18-21)27(26-28(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-20H,1-6H3.
What are the key properties of (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane?
(4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane has a molecular weight of 405.60 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane is sourced from PubChem (CID 102250430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).