1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane

C29H47PSi2 — CID 102522485

IUPAC1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C(\C#CC#C[Si](C)(C)C)[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C29H47PSi2/c1-27(2,3)22-20-23(28(4,5)6)26(24(21-22)29(7,8)9)30-25(32(13,14)15)18-16-17-19-31(10,11)12/h20-21H,1-15H3
InChIKeyXFSDGWLVZDZJFI-UHFFFAOYSA-N
MW482.84 g/mol
LogP8.08
Rot. Bonds2

About 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane

1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 102522485) has the molecular formula C29H47PSi2 and a molecular weight of 482.84 g/mol. Its IUPAC name is 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Name1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID102522485
Molecular FormulaC29H47PSi2
Molecular Weight482.84 g/mol
Exact Mass482.30
IUPAC Name1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C(\C#CC#C[Si](C)(C)C)[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C29H47PSi2/c1-27(2,3)22-20-23(28(4,5)6)26(24(21-22)29(7,8)9)30-25(32(13,14)15)18-16-17-19-31(10,11)12/h20-21H,1-15H3
InChIKeyXFSDGWLVZDZJFI-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 58.08
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-phenyl-5-[4-[5-phenyl-5-(2,4,6-tritert-butylphenyl)phosphanylidenepenta-1,3-diynyl]phenyl]penta-2,4-diynylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 102172132
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
(2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane
CID 16689735
1-phenylpenta-1,4-diyn-3-ylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 54771244
(1-bromo-2-phenylethylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 11431063
1-chloro-1-(2,4,6-tritert-butylphenyl)phosphanylidenebutan-2-one
CID 134920180
ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
CID 15773777
[bromo-(4-methylphenyl)sulfanylmethylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 134871332
N-[[chloro-(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine
CID 101267339
fluoro-(2,4,6-tritert-butylphenyl)iminophosphane
CID 14492991
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
CID 101184918

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane (CID 102522485) is 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane is CC(C)(C)c1cc(C(C)(C)C)c(/P=C(\C#CC#C[Si](C)(C)C)[Si](C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is XFSDGWLVZDZJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47PSi2/c1-27(2,3)22-20-23(28(4,5)6)26(24(21-22)29(7,8)9)30-25(32(13,14)15)18-16-17-19-31(10,11)12/h20-21H,1-15H3.
What are the key properties of 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane?
1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 482.84 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 102522485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).