bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane

C36H51PSi — CID 13172407

IUPACbis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCc1cc(C)c([Si](=Pc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C36H51PSi/c1-22-16-24(3)32(25(4)17-22)38(33-26(5)18-23(2)19-27(33)6)37-31-29(35(10,11)12)20-28(34(7,8)9)21-30(31)36(13,14)15/h16-21H,1-15H3
InChIKeyHFTYJOJWAZANLV-UHFFFAOYSA-N
MW542.86 g/mol
LogP8.81
Rot. Bonds3

About bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane

bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 13172407) has the molecular formula C36H51PSi and a molecular weight of 542.86 g/mol. Its IUPAC name is bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Namebis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID13172407
Molecular FormulaC36H51PSi
Molecular Weight542.86 g/mol
Exact Mass542.35
IUPAC Namebis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCc1cc(C)c([Si](=Pc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C36H51PSi/c1-22-16-24(3)32(25(4)17-22)38(33-26(5)18-23(2)19-27(33)6)37-31-29(35(10,11)12)20-28(34(7,8)9)21-30(31)36(13,14)15/h16-21H,1-15H3
InChIKeyHFTYJOJWAZANLV-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.86
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tritert-butylaniline;2,4,6-trimethylaniline
CID 67732973
(E)-tert-butyl-[tert-butyl-(2,4,6-trimethylphenyl)silylidene]-(2,4,6-trimethylphenyl)silane
CID 13265296
2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline
CID 134886122
CID 15962849
CID 15962849
1,2-ditert-butyl-3,5-dimethylbenzene
CID 159753674
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 15821264
(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
CID 101184918
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
CID 139625941
N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline
CID 163814484

Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane (CID 13172407) is bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane is Cc1cc(C)c([Si](=Pc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is HFTYJOJWAZANLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51PSi/c1-22-16-24(3)32(25(4)17-22)38(33-26(5)18-23(2)19-27(33)6)37-31-29(35(10,11)12)20-28(34(7,8)9)21-30(31)36(13,14)15/h16-21H,1-15H3.
What are the key properties of bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane?
bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 542.86 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 13172407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).